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/5UTR-5b9c8e77/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5UTR-5b9c8e77/inputs/seq.fa: 1 curr_seq: _AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG 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 146 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: 735 n_atoms_counter: 735 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/5UTR-5b9c8e77/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5UTR-5b9c8e77/inputs/seq.fa: 1 curr_seq: _AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG 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 146 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: 735 n_atoms_counter: 735 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/5UTR-5b9c8e77/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5UTR-5b9c8e77/inputs/seq.fa: 1 curr_seq: _AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG 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 146 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: 735 n_atoms_counter: 735 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/5UTR-5b9c8e77/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5UTR-5b9c8e77/inputs/seq.fa: 1 curr_seq: _AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG 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 146 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: 735 n_atoms_counter: 735 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/5UTR-5b9c8e77/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5UTR-5b9c8e77/inputs/seq.fa: 1 curr_seq: _AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG 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 146 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: 735 n_atoms_counter: 735 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/5UTR-5b9c8e77/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5UTR-5b9c8e77/inputs/seq.fa: 1 curr_seq: _AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG 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 146 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: 735 n_atoms_counter: 735 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/5UTR-5b9c8e77/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5UTR-5b9c8e77/inputs/seq.fa: 1 curr_seq: _AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG 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 146 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: 735 n_atoms_counter: 735 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/5UTR-5b9c8e77/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5UTR-5b9c8e77/inputs/seq.fa: 1 curr_seq: _AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG 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 146 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: 735 n_atoms_counter: 735 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/5UTR-5b9c8e77/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5UTR-5b9c8e77/inputs/seq.fa: 1 curr_seq: _AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG 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 146 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: 735 n_atoms_counter: 735 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/5UTR-5b9c8e77/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5UTR-5b9c8e77/inputs/seq.fa: 1 curr_seq: _AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGAAGUUUAUCUGUGUGAACUUCUUGGCUUAGUAUCGUUGAGAAGAAUCGAGAGAUUAGUGCAGUUUAAACAGUUUUUUAGAACGGAAGAUAACCAUGACUAAAAAACCAGGAGGGCCCGGUAAAAACCGGGCUAUCAAUAUGCUG 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 146 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: 735 n_atoms_counter: 735 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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: -586.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.892390 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.000 local terms energy: -568.387063 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -65.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -586.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.892390 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.000 local terms energy: -568.387063 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -65.204 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: 1 Temperature: 1.000000 Total energy: -586.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.892390 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.000 local terms energy: -568.387063 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -65.204 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -586.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.892390 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.000 local terms energy: -568.387063 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -65.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -586.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.892390 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.000 local terms energy: -568.387063 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -65.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -586.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.892390 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.000 local terms energy: -568.387063 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -65.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -586.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.892390 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.000 local terms energy: -568.387063 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -65.204 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -586.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.892390 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.000 local terms energy: -568.387063 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -65.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -586.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.892390 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.000 local terms energy: -568.387063 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -65.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -586.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.892390 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.000 local terms energy: -568.387063 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -122.622 tors. eta vs tors. theta energy: -65.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -694.474181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.474181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.474181 (E_RNA) where: Base-Base interactions energy: -282.552 where: short stacking energy: -277.672 Base-Backbone interact. energy: -0.282 local terms energy: -411.640033 where: bonds (distance) C4'-P energy: -101.255 bonds (distance) P-C4' energy: -98.123 flat angles C4'-P-C4' energy: -94.752 flat angles P-C4'-P energy: -51.640 tors. eta vs tors. theta energy: -65.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -672.774388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.774388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.774388 (E_RNA) where: Base-Base interactions energy: -281.683 where: short stacking energy: -272.588 Base-Backbone interact. energy: -0.481 local terms energy: -390.610500 where: bonds (distance) C4'-P energy: -84.945 bonds (distance) P-C4' energy: -94.610 flat angles C4'-P-C4' energy: -89.224 flat angles P-C4'-P energy: -57.369 tors. eta vs tors. theta energy: -64.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -631.170912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.170912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.170912 (E_RNA) where: Base-Base interactions energy: -252.361 where: short stacking energy: -238.867 Base-Backbone interact. energy: -0.599 local terms energy: -378.211153 where: bonds (distance) C4'-P energy: -80.825 bonds (distance) P-C4' energy: -99.281 flat angles C4'-P-C4' energy: -85.439 flat angles P-C4'-P energy: -61.373 tors. eta vs tors. theta energy: -51.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -596.411734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.411734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.411734 (E_RNA) where: Base-Base interactions energy: -246.049 where: short stacking energy: -181.121 Base-Backbone interact. energy: -0.734 local terms energy: -349.628722 where: bonds (distance) C4'-P energy: -81.262 bonds (distance) P-C4' energy: -96.643 flat angles C4'-P-C4' energy: -81.501 flat angles P-C4'-P energy: -53.825 tors. eta vs tors. theta energy: -36.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -592.898299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.898299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.898299 (E_RNA) where: Base-Base interactions energy: -155.546 where: short stacking energy: -155.546 Base-Backbone interact. energy: -0.000 local terms energy: -437.352360 where: bonds (distance) C4'-P energy: -86.330 bonds (distance) P-C4' energy: -86.706 flat angles C4'-P-C4' energy: -105.581 flat angles P-C4'-P energy: -91.543 tors. eta vs tors. theta energy: -67.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -592.034864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.034864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.034864 (E_RNA) where: Base-Base interactions energy: -40.893 where: short stacking energy: -40.893 Base-Backbone interact. energy: -0.000 local terms energy: -551.141770 where: bonds (distance) C4'-P energy: -128.632 bonds (distance) P-C4' energy: -125.308 flat angles C4'-P-C4' energy: -108.004 flat angles P-C4'-P energy: -120.330 tors. eta vs tors. theta energy: -68.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -587.301150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.301150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.301150 (E_RNA) where: Base-Base interactions energy: -21.265 where: short stacking energy: -21.265 Base-Backbone interact. energy: -0.000 local terms energy: -566.036471 where: bonds (distance) C4'-P energy: -140.646 bonds (distance) P-C4' energy: -131.253 flat angles C4'-P-C4' energy: -106.469 flat angles P-C4'-P energy: -122.500 tors. eta vs tors. theta energy: -65.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -587.300261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.300261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.300261 (E_RNA) where: Base-Base interactions energy: -21.264 where: short stacking energy: -21.264 Base-Backbone interact. energy: -0.000 local terms energy: -566.036471 where: bonds (distance) C4'-P energy: -140.646 bonds (distance) P-C4' energy: -131.253 flat angles C4'-P-C4' energy: -106.469 flat angles P-C4'-P energy: -122.500 tors. eta vs tors. theta energy: -65.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -587.490409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.490409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.490409 (E_RNA) where: Base-Base interactions energy: -21.263 where: short stacking energy: -21.263 Base-Backbone interact. energy: -0.000 local terms energy: -566.227537 where: bonds (distance) C4'-P energy: -140.646 bonds (distance) P-C4' energy: -131.253 flat angles C4'-P-C4' energy: -106.469 flat angles P-C4'-P energy: -122.500 tors. eta vs tors. theta energy: -65.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -587.128398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.128398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.128398 (E_RNA) where: Base-Base interactions energy: -21.262 where: short stacking energy: -21.262 Base-Backbone interact. energy: -0.000 local terms energy: -565.866475 where: bonds (distance) C4'-P energy: -140.646 bonds (distance) P-C4' energy: -131.253 flat angles C4'-P-C4' energy: -106.146 flat angles P-C4'-P energy: -122.463 tors. eta vs tors. theta energy: -65.360 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -740.801487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.801487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.801487 (E_RNA) where: Base-Base interactions energy: -322.815 where: short stacking energy: -295.041 Base-Backbone interact. energy: -0.645 local terms energy: -417.340552 where: bonds (distance) C4'-P energy: -85.788 bonds (distance) P-C4' energy: -94.483 flat angles C4'-P-C4' energy: -102.809 flat angles P-C4'-P energy: -56.850 tors. eta vs tors. theta energy: -77.410 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -721.699409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.699409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.699409 (E_RNA) where: Base-Base interactions energy: -318.633 where: short stacking energy: -279.991 Base-Backbone interact. energy: -0.721 local terms energy: -402.345190 where: bonds (distance) C4'-P energy: -91.334 bonds (distance) P-C4' energy: -91.224 flat angles C4'-P-C4' energy: -98.378 flat angles P-C4'-P energy: -48.836 tors. eta vs tors. theta energy: -72.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -653.927346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.927346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.927346 (E_RNA) where: Base-Base interactions energy: -300.594 where: short stacking energy: -228.057 Base-Backbone interact. energy: -0.450 local terms energy: -352.882923 where: bonds (distance) C4'-P energy: -82.778 bonds (distance) P-C4' energy: -91.966 flat angles C4'-P-C4' energy: -85.937 flat angles P-C4'-P energy: -45.236 tors. eta vs tors. theta energy: -46.965 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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -595.621029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.621029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.621029 (E_RNA) where: Base-Base interactions energy: -239.565 where: short stacking energy: -210.733 Base-Backbone interact. energy: -2.147 local terms energy: -353.909204 where: bonds (distance) C4'-P energy: -90.302 bonds (distance) P-C4' energy: -100.874 flat angles C4'-P-C4' energy: -69.535 flat angles P-C4'-P energy: -61.512 tors. eta vs tors. theta energy: -31.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -611.398083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.398083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.398083 (E_RNA) where: Base-Base interactions energy: -278.682 where: short stacking energy: -216.004 Base-Backbone interact. energy: -1.191 local terms energy: -331.524563 where: bonds (distance) C4'-P energy: -74.466 bonds (distance) P-C4' energy: -85.400 flat angles C4'-P-C4' energy: -78.979 flat angles P-C4'-P energy: -51.779 tors. eta vs tors. theta energy: -40.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -567.555949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.555949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.555949 (E_RNA) where: Base-Base interactions energy: -242.827 where: short stacking energy: -194.702 Base-Backbone interact. energy: -1.056 local terms energy: -323.673535 where: bonds (distance) C4'-P energy: -80.974 bonds (distance) P-C4' energy: -83.418 flat angles C4'-P-C4' energy: -74.906 flat angles P-C4'-P energy: -54.543 tors. eta vs tors. theta energy: -29.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -456.015629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.015629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.015629 (E_RNA) where: Base-Base interactions energy: -199.157 where: short stacking energy: -139.159 Base-Backbone interact. energy: 0.443 local terms energy: -257.302124 where: bonds (distance) C4'-P energy: -71.566 bonds (distance) P-C4' energy: -85.109 flat angles C4'-P-C4' energy: -58.967 flat angles P-C4'-P energy: -49.785 tors. eta vs tors. theta energy: 8.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -454.361212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.361212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.361212 (E_RNA) where: Base-Base interactions energy: -176.269 where: short stacking energy: -139.513 Base-Backbone interact. energy: 2.582 local terms energy: -280.673521 where: bonds (distance) C4'-P energy: -75.590 bonds (distance) P-C4' energy: -90.601 flat angles C4'-P-C4' energy: -69.472 flat angles P-C4'-P energy: -35.828 tors. eta vs tors. theta energy: -9.183 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: 3 Temperature: 1.300000 Total energy: -383.486538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.486538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.486538 (E_RNA) where: Base-Base interactions energy: -128.062 where: short stacking energy: -92.469 Base-Backbone interact. energy: 0.151 local terms energy: -255.575738 where: bonds (distance) C4'-P energy: -70.551 bonds (distance) P-C4' energy: -86.125 flat angles C4'-P-C4' energy: -65.710 flat angles P-C4'-P energy: -31.939 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -352.445418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.445418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.445418 (E_RNA) where: Base-Base interactions energy: -122.861 where: short stacking energy: -106.420 Base-Backbone interact. energy: 0.135 local terms energy: -229.718622 where: bonds (distance) C4'-P energy: -70.323 bonds (distance) P-C4' energy: -75.845 flat angles C4'-P-C4' energy: -57.526 flat angles P-C4'-P energy: -41.526 tors. eta vs tors. theta energy: 15.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -802.033172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.033172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.033172 (E_RNA) where: Base-Base interactions energy: -366.532 where: short stacking energy: -283.506 Base-Backbone interact. energy: -1.442 local terms energy: -434.058661 where: bonds (distance) C4'-P energy: -97.495 bonds (distance) P-C4' energy: -91.796 flat angles C4'-P-C4' energy: -96.776 flat angles P-C4'-P energy: -68.184 tors. eta vs tors. theta energy: -79.807 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -763.092339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.092339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.092339 (E_RNA) where: Base-Base interactions energy: -345.290 where: short stacking energy: -279.689 Base-Backbone interact. energy: -0.517 local terms energy: -417.285560 where: bonds (distance) C4'-P energy: -91.311 bonds (distance) P-C4' energy: -95.006 flat angles C4'-P-C4' energy: -94.422 flat angles P-C4'-P energy: -55.163 tors. eta vs tors. theta energy: -81.383 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -688.039226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.039226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.039226 (E_RNA) where: Base-Base interactions energy: -302.000 where: short stacking energy: -247.502 Base-Backbone interact. energy: 0.225 local terms energy: -386.264065 where: bonds (distance) C4'-P energy: -86.934 bonds (distance) P-C4' energy: -98.784 flat angles C4'-P-C4' energy: -78.254 flat angles P-C4'-P energy: -61.501 tors. eta vs tors. theta energy: -60.791 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: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -607.712182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.712182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.712182 (E_RNA) where: Base-Base interactions energy: -255.005 where: short stacking energy: -222.258 Base-Backbone interact. energy: 1.967 local terms energy: -354.673670 where: bonds (distance) C4'-P energy: -76.300 bonds (distance) P-C4' energy: -96.586 flat angles C4'-P-C4' energy: -87.245 flat angles P-C4'-P energy: -59.537 tors. eta vs tors. theta energy: -35.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -662.850896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.850896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.850896 (E_RNA) where: Base-Base interactions energy: -321.830 where: short stacking energy: -234.865 Base-Backbone interact. energy: -3.940 local terms energy: -337.081334 where: bonds (distance) C4'-P energy: -79.456 bonds (distance) P-C4' energy: -87.694 flat angles C4'-P-C4' energy: -72.597 flat angles P-C4'-P energy: -49.233 tors. eta vs tors. theta energy: -48.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -601.618789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.618789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.618789 (E_RNA) where: Base-Base interactions energy: -276.533 where: short stacking energy: -186.190 Base-Backbone interact. energy: 0.287 local terms energy: -325.372946 where: bonds (distance) C4'-P energy: -87.955 bonds (distance) P-C4' energy: -86.800 flat angles C4'-P-C4' energy: -78.264 flat angles P-C4'-P energy: -46.657 tors. eta vs tors. theta energy: -25.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -479.316007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.316007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.316007 (E_RNA) where: Base-Base interactions energy: -213.503 where: short stacking energy: -148.579 Base-Backbone interact. energy: -1.726 local terms energy: -264.086657 where: bonds (distance) C4'-P energy: -69.572 bonds (distance) P-C4' energy: -82.394 flat angles C4'-P-C4' energy: -71.915 flat angles P-C4'-P energy: -41.572 tors. eta vs tors. theta energy: 1.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -438.144507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.144507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.144507 (E_RNA) where: Base-Base interactions energy: -163.040 where: short stacking energy: -120.020 Base-Backbone interact. energy: 0.601 local terms energy: -275.704908 where: bonds (distance) C4'-P energy: -77.096 bonds (distance) P-C4' energy: -82.289 flat angles C4'-P-C4' energy: -81.392 flat angles P-C4'-P energy: -38.373 tors. eta vs tors. theta energy: 3.446 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: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -415.122438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.122438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.122438 (E_RNA) where: Base-Base interactions energy: -166.214 where: short stacking energy: -113.484 Base-Backbone interact. energy: 0.315 local terms energy: -249.223305 where: bonds (distance) C4'-P energy: -61.282 bonds (distance) P-C4' energy: -83.970 flat angles C4'-P-C4' energy: -58.944 flat angles P-C4'-P energy: -40.174 tors. eta vs tors. theta energy: -4.853 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: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -346.358824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.358824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.358824 (E_RNA) where: Base-Base interactions energy: -106.708 where: short stacking energy: -86.547 Base-Backbone interact. energy: -0.247 local terms energy: -239.403290 where: bonds (distance) C4'-P energy: -63.138 bonds (distance) P-C4' energy: -80.687 flat angles C4'-P-C4' energy: -59.895 flat angles P-C4'-P energy: -46.098 tors. eta vs tors. theta energy: 10.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -799.197951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.197951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.197951 (E_RNA) where: Base-Base interactions energy: -396.325 where: short stacking energy: -305.526 Base-Backbone interact. energy: 0.780 local terms energy: -403.653238 where: bonds (distance) C4'-P energy: -88.794 bonds (distance) P-C4' energy: -97.351 flat angles C4'-P-C4' energy: -89.232 flat angles P-C4'-P energy: -58.554 tors. eta vs tors. theta energy: -69.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -739.903429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.903429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.903429 (E_RNA) where: Base-Base interactions energy: -349.773 where: short stacking energy: -286.574 Base-Backbone interact. energy: -0.491 local terms energy: -389.639205 where: bonds (distance) C4'-P energy: -78.246 bonds (distance) P-C4' energy: -96.002 flat angles C4'-P-C4' energy: -92.598 flat angles P-C4'-P energy: -49.374 tors. eta vs tors. theta energy: -73.419 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: 5 Temperature: 1.000000 Total energy: -798.726963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.726963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.726963 (E_RNA) where: Base-Base interactions energy: -416.889 where: short stacking energy: -274.159 Base-Backbone interact. energy: -1.184 local terms energy: -380.654165 where: bonds (distance) C4'-P energy: -80.536 bonds (distance) P-C4' energy: -97.793 flat angles C4'-P-C4' energy: -91.751 flat angles P-C4'-P energy: -39.269 tors. eta vs tors. theta energy: -71.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -679.003389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.003389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.003389 (E_RNA) where: Base-Base interactions energy: -314.430 where: short stacking energy: -258.710 Base-Backbone interact. energy: 1.532 local terms energy: -366.105913 where: bonds (distance) C4'-P energy: -85.642 bonds (distance) P-C4' energy: -81.578 flat angles C4'-P-C4' energy: -90.673 flat angles P-C4'-P energy: -49.643 tors. eta vs tors. theta energy: -58.569 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: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -550.249164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.249164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.249164 (E_RNA) where: Base-Base interactions energy: -191.949 where: short stacking energy: -182.251 Base-Backbone interact. energy: 1.071 local terms energy: -359.370890 where: bonds (distance) C4'-P energy: -94.948 bonds (distance) P-C4' energy: -101.764 flat angles C4'-P-C4' energy: -93.495 flat angles P-C4'-P energy: -51.412 tors. eta vs tors. theta energy: -17.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -597.902235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.902235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.902235 (E_RNA) where: Base-Base interactions energy: -308.771 where: short stacking energy: -169.702 Base-Backbone interact. energy: 1.198 local terms energy: -290.328762 where: bonds (distance) C4'-P energy: -75.261 bonds (distance) P-C4' energy: -82.332 flat angles C4'-P-C4' energy: -67.520 flat angles P-C4'-P energy: -58.453 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -464.072222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.072222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.072222 (E_RNA) where: Base-Base interactions energy: -182.062 where: short stacking energy: -147.899 Base-Backbone interact. energy: 0.495 local terms energy: -282.505758 where: bonds (distance) C4'-P energy: -88.009 bonds (distance) P-C4' energy: -72.729 flat angles C4'-P-C4' energy: -59.701 flat angles P-C4'-P energy: -57.708 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -463.380291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.380291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.380291 (E_RNA) where: Base-Base interactions energy: -193.004 where: short stacking energy: -140.947 Base-Backbone interact. energy: -3.021 local terms energy: -267.355569 where: bonds (distance) C4'-P energy: -77.781 bonds (distance) P-C4' energy: -83.594 flat angles C4'-P-C4' energy: -65.391 flat angles P-C4'-P energy: -40.192 tors. eta vs tors. theta energy: -0.397 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: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -401.907073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.907073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.907073 (E_RNA) where: Base-Base interactions energy: -171.885 where: short stacking energy: -121.550 Base-Backbone interact. energy: 5.932 local terms energy: -235.953357 where: bonds (distance) C4'-P energy: -71.281 bonds (distance) P-C4' energy: -75.069 flat angles C4'-P-C4' energy: -56.162 flat angles P-C4'-P energy: -39.772 tors. eta vs tors. theta energy: 6.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -403.452398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.452398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.452398 (E_RNA) where: Base-Base interactions energy: -149.426 where: short stacking energy: -83.317 Base-Backbone interact. energy: 5.834 local terms energy: -259.861065 where: bonds (distance) C4'-P energy: -75.316 bonds (distance) P-C4' energy: -76.813 flat angles C4'-P-C4' energy: -70.817 flat angles P-C4'-P energy: -51.221 tors. eta vs tors. theta energy: 14.305 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: 6 Temperature: 0.900000 Total energy: -833.523474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.523474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.523474 (E_RNA) where: Base-Base interactions energy: -422.245 where: short stacking energy: -306.005 Base-Backbone interact. energy: 1.187 local terms energy: -412.465845 where: bonds (distance) C4'-P energy: -93.337 bonds (distance) P-C4' energy: -101.818 flat angles C4'-P-C4' energy: -84.357 flat angles P-C4'-P energy: -64.692 tors. eta vs tors. theta energy: -68.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -739.875698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.875698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.875698 (E_RNA) where: Base-Base interactions energy: -380.743 where: short stacking energy: -213.216 Base-Backbone interact. energy: -1.713 local terms energy: -357.419834 where: bonds (distance) C4'-P energy: -78.625 bonds (distance) P-C4' energy: -96.014 flat angles C4'-P-C4' energy: -93.460 flat angles P-C4'-P energy: -51.755 tors. eta vs tors. theta energy: -37.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -819.218648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.218648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.218648 (E_RNA) where: Base-Base interactions energy: -433.913 where: short stacking energy: -270.776 Base-Backbone interact. energy: -0.039 local terms energy: -385.266695 where: bonds (distance) C4'-P energy: -85.303 bonds (distance) P-C4' energy: -90.775 flat angles C4'-P-C4' energy: -93.654 flat angles P-C4'-P energy: -54.334 tors. eta vs tors. theta energy: -61.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -700.695595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.695595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.695595 (E_RNA) where: Base-Base interactions energy: -348.617 where: short stacking energy: -230.945 Base-Backbone interact. energy: -3.084 local terms energy: -348.993888 where: bonds (distance) C4'-P energy: -78.087 bonds (distance) P-C4' energy: -82.521 flat angles C4'-P-C4' energy: -86.470 flat angles P-C4'-P energy: -58.429 tors. eta vs tors. theta energy: -43.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -631.325205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.325205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.325205 (E_RNA) where: Base-Base interactions energy: -305.878 where: short stacking energy: -184.740 Base-Backbone interact. energy: 1.754 local terms energy: -327.200773 where: bonds (distance) C4'-P energy: -78.423 bonds (distance) P-C4' energy: -90.062 flat angles C4'-P-C4' energy: -76.525 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -36.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -565.708701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.708701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.708701 (E_RNA) where: Base-Base interactions energy: -235.219 where: short stacking energy: -136.276 Base-Backbone interact. energy: -2.868 local terms energy: -327.621487 where: bonds (distance) C4'-P energy: -96.428 bonds (distance) P-C4' energy: -86.356 flat angles C4'-P-C4' energy: -76.812 flat angles P-C4'-P energy: -41.718 tors. eta vs tors. theta energy: -26.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -563.471687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.471687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.471687 (E_RNA) where: Base-Base interactions energy: -269.235 where: short stacking energy: -155.156 Base-Backbone interact. energy: -0.526 local terms energy: -293.710854 where: bonds (distance) C4'-P energy: -85.074 bonds (distance) P-C4' energy: -76.680 flat angles C4'-P-C4' energy: -79.530 flat angles P-C4'-P energy: -38.654 tors. eta vs tors. theta energy: -13.774 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: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -429.449450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.449450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.449450 (E_RNA) where: Base-Base interactions energy: -168.416 where: short stacking energy: -143.713 Base-Backbone interact. energy: 3.133 local terms energy: -264.166338 where: bonds (distance) C4'-P energy: -71.125 bonds (distance) P-C4' energy: -67.768 flat angles C4'-P-C4' energy: -66.781 flat angles P-C4'-P energy: -38.991 tors. eta vs tors. theta energy: -19.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -394.668873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.668873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.668873 (E_RNA) where: Base-Base interactions energy: -145.652 where: short stacking energy: -107.294 Base-Backbone interact. energy: 2.588 local terms energy: -251.604643 where: bonds (distance) C4'-P energy: -81.679 bonds (distance) P-C4' energy: -93.016 flat angles C4'-P-C4' energy: -61.669 flat angles P-C4'-P energy: -33.435 tors. eta vs tors. theta energy: 18.195 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: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -363.518731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.518731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.518731 (E_RNA) where: Base-Base interactions energy: -132.572 where: short stacking energy: -101.592 Base-Backbone interact. energy: -1.908 local terms energy: -229.038540 where: bonds (distance) C4'-P energy: -81.814 bonds (distance) P-C4' energy: -72.858 flat angles C4'-P-C4' energy: -57.065 flat angles P-C4'-P energy: -36.095 tors. eta vs tors. theta energy: 18.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -901.184384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.184384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.184384 (E_RNA) where: Base-Base interactions energy: -476.653 where: short stacking energy: -325.910 Base-Backbone interact. energy: -2.165 local terms energy: -422.367263 where: bonds (distance) C4'-P energy: -82.942 bonds (distance) P-C4' energy: -93.305 flat angles C4'-P-C4' energy: -92.422 flat angles P-C4'-P energy: -65.561 tors. eta vs tors. theta energy: -88.137 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: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -886.080571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.080571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.080571 (E_RNA) where: Base-Base interactions energy: -474.058 where: short stacking energy: -307.439 Base-Backbone interact. energy: -1.273 local terms energy: -410.749266 where: bonds (distance) C4'-P energy: -87.491 bonds (distance) P-C4' energy: -91.312 flat angles C4'-P-C4' energy: -90.487 flat angles P-C4'-P energy: -59.758 tors. eta vs tors. theta energy: -81.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -741.517832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.517832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.517832 (E_RNA) where: Base-Base interactions energy: -386.114 where: short stacking energy: -237.773 Base-Backbone interact. energy: 1.300 local terms energy: -356.703148 where: bonds (distance) C4'-P energy: -83.868 bonds (distance) P-C4' energy: -85.164 flat angles C4'-P-C4' energy: -81.640 flat angles P-C4'-P energy: -53.309 tors. eta vs tors. theta energy: -52.721 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: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -705.185191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.185191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.185191 (E_RNA) where: Base-Base interactions energy: -351.004 where: short stacking energy: -229.344 Base-Backbone interact. energy: -0.223 local terms energy: -353.957756 where: bonds (distance) C4'-P energy: -94.023 bonds (distance) P-C4' energy: -86.409 flat angles C4'-P-C4' energy: -87.174 flat angles P-C4'-P energy: -56.734 tors. eta vs tors. theta energy: -29.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -719.908533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.908533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.908533 (E_RNA) where: Base-Base interactions energy: -383.527 where: short stacking energy: -223.661 Base-Backbone interact. energy: -0.363 local terms energy: -336.018612 where: bonds (distance) C4'-P energy: -77.225 bonds (distance) P-C4' energy: -77.793 flat angles C4'-P-C4' energy: -78.304 flat angles P-C4'-P energy: -55.569 tors. eta vs tors. theta energy: -47.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -697.414414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.414414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.414414 (E_RNA) where: Base-Base interactions energy: -388.414 where: short stacking energy: -202.353 Base-Backbone interact. energy: 4.013 local terms energy: -313.013744 where: bonds (distance) C4'-P energy: -77.466 bonds (distance) P-C4' energy: -86.863 flat angles C4'-P-C4' energy: -74.050 flat angles P-C4'-P energy: -53.571 tors. eta vs tors. theta energy: -21.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -483.473348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.473348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.473348 (E_RNA) where: Base-Base interactions energy: -212.629 where: short stacking energy: -164.115 Base-Backbone interact. energy: -0.362 local terms energy: -270.482126 where: bonds (distance) C4'-P energy: -74.293 bonds (distance) P-C4' energy: -79.753 flat angles C4'-P-C4' energy: -81.422 flat angles P-C4'-P energy: -34.434 tors. eta vs tors. theta energy: -0.580 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: 7 Temperature: 1.250000 Total energy: -443.240099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.240099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.240099 (E_RNA) where: Base-Base interactions energy: -185.258 where: short stacking energy: -122.924 Base-Backbone interact. energy: 1.445 local terms energy: -259.426836 where: bonds (distance) C4'-P energy: -78.238 bonds (distance) P-C4' energy: -67.764 flat angles C4'-P-C4' energy: -61.055 flat angles P-C4'-P energy: -54.400 tors. eta vs tors. theta energy: 2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -393.205799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.205799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.205799 (E_RNA) where: Base-Base interactions energy: -135.449 where: short stacking energy: -90.358 Base-Backbone interact. energy: 1.131 local terms energy: -258.887676 where: bonds (distance) C4'-P energy: -86.913 bonds (distance) P-C4' energy: -84.479 flat angles C4'-P-C4' energy: -69.338 flat angles P-C4'-P energy: -28.133 tors. eta vs tors. theta energy: 9.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -364.644118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.644118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.644118 (E_RNA) where: Base-Base interactions energy: -113.458 where: short stacking energy: -108.712 Base-Backbone interact. energy: -1.108 local terms energy: -250.078742 where: bonds (distance) C4'-P energy: -67.816 bonds (distance) P-C4' energy: -78.130 flat angles C4'-P-C4' energy: -65.172 flat angles P-C4'-P energy: -38.747 tors. eta vs tors. theta energy: -0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -973.294077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.294077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.294077 (E_RNA) where: Base-Base interactions energy: -561.536 where: short stacking energy: -329.390 Base-Backbone interact. energy: 0.009 local terms energy: -411.767402 where: bonds (distance) C4'-P energy: -79.622 bonds (distance) P-C4' energy: -88.594 flat angles C4'-P-C4' energy: -94.232 flat angles P-C4'-P energy: -66.601 tors. eta vs tors. theta energy: -82.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -959.485177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.485177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.485177 (E_RNA) where: Base-Base interactions energy: -559.692 where: short stacking energy: -293.300 Base-Backbone interact. energy: 0.802 local terms energy: -400.595981 where: bonds (distance) C4'-P energy: -85.965 bonds (distance) P-C4' energy: -96.695 flat angles C4'-P-C4' energy: -94.393 flat angles P-C4'-P energy: -60.932 tors. eta vs tors. theta energy: -62.611 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: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -800.020394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.020394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.020394 (E_RNA) where: Base-Base interactions energy: -409.881 where: short stacking energy: -258.024 Base-Backbone interact. energy: -1.852 local terms energy: -388.287067 where: bonds (distance) C4'-P energy: -95.169 bonds (distance) P-C4' energy: -88.677 flat angles C4'-P-C4' energy: -85.014 flat angles P-C4'-P energy: -60.975 tors. eta vs tors. theta energy: -58.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -699.919619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.919619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.919619 (E_RNA) where: Base-Base interactions energy: -336.256 where: short stacking energy: -233.210 Base-Backbone interact. energy: -1.276 local terms energy: -362.387951 where: bonds (distance) C4'-P energy: -84.649 bonds (distance) P-C4' energy: -92.373 flat angles C4'-P-C4' energy: -73.871 flat angles P-C4'-P energy: -60.621 tors. eta vs tors. theta energy: -50.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -783.115046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.115046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.115046 (E_RNA) where: Base-Base interactions energy: -428.312 where: short stacking energy: -245.410 Base-Backbone interact. energy: -1.068 local terms energy: -353.734960 where: bonds (distance) C4'-P energy: -83.445 bonds (distance) P-C4' energy: -84.362 flat angles C4'-P-C4' energy: -94.078 flat angles P-C4'-P energy: -41.647 tors. eta vs tors. theta energy: -50.202 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: 6, replica: 8 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -700.762260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.762260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.762260 (E_RNA) where: Base-Base interactions energy: -372.182 where: short stacking energy: -201.065 Base-Backbone interact. energy: 2.263 local terms energy: -330.843519 where: bonds (distance) C4'-P energy: -81.421 bonds (distance) P-C4' energy: -83.496 flat angles C4'-P-C4' energy: -77.627 flat angles P-C4'-P energy: -58.043 tors. eta vs tors. theta energy: -30.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -472.069826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.069826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.069826 (E_RNA) where: Base-Base interactions energy: -194.395 where: short stacking energy: -148.819 Base-Backbone interact. energy: -0.393 local terms energy: -277.281926 where: bonds (distance) C4'-P energy: -80.142 bonds (distance) P-C4' energy: -88.076 flat angles C4'-P-C4' energy: -63.882 flat angles P-C4'-P energy: -45.824 tors. eta vs tors. theta energy: 0.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -424.816200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.816200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.816200 (E_RNA) where: Base-Base interactions energy: -175.269 where: short stacking energy: -125.537 Base-Backbone interact. energy: -0.165 local terms energy: -249.382618 where: bonds (distance) C4'-P energy: -66.821 bonds (distance) P-C4' energy: -92.084 flat angles C4'-P-C4' energy: -59.541 flat angles P-C4'-P energy: -42.534 tors. eta vs tors. theta energy: 11.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -408.978562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.978562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.978562 (E_RNA) where: Base-Base interactions energy: -161.325 where: short stacking energy: -129.314 Base-Backbone interact. energy: 2.267 local terms energy: -249.920252 where: bonds (distance) C4'-P energy: -61.238 bonds (distance) P-C4' energy: -84.177 flat angles C4'-P-C4' energy: -68.923 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: 3.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -378.285028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.285028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.285028 (E_RNA) where: Base-Base interactions energy: -147.902 where: short stacking energy: -98.255 Base-Backbone interact. energy: 1.644 local terms energy: -232.026899 where: bonds (distance) C4'-P energy: -67.971 bonds (distance) P-C4' energy: -79.192 flat angles C4'-P-C4' energy: -67.064 flat angles P-C4'-P energy: -35.602 tors. eta vs tors. theta energy: 17.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -995.591649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.591649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.591649 (E_RNA) where: Base-Base interactions energy: -585.363 where: short stacking energy: -326.145 Base-Backbone interact. energy: -1.608 local terms energy: -408.620819 where: bonds (distance) C4'-P energy: -87.860 bonds (distance) P-C4' energy: -93.996 flat angles C4'-P-C4' energy: -94.482 flat angles P-C4'-P energy: -55.954 tors. eta vs tors. theta energy: -76.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1010.412804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.412804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.412804 (E_RNA) where: Base-Base interactions energy: -600.163 where: short stacking energy: -300.613 Base-Backbone interact. energy: -1.455 local terms energy: -408.794623 where: bonds (distance) C4'-P energy: -85.579 bonds (distance) P-C4' energy: -97.199 flat angles C4'-P-C4' energy: -89.137 flat angles P-C4'-P energy: -54.170 tors. eta vs tors. theta energy: -82.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -803.567073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.567073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.567073 (E_RNA) where: Base-Base interactions energy: -418.158 where: short stacking energy: -256.399 Base-Backbone interact. energy: -0.402 local terms energy: -385.006998 where: bonds (distance) C4'-P energy: -77.759 bonds (distance) P-C4' energy: -81.973 flat angles C4'-P-C4' energy: -85.244 flat angles P-C4'-P energy: -77.969 tors. eta vs tors. theta energy: -62.062 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: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -853.362325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.362325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.362325 (E_RNA) where: Base-Base interactions energy: -483.125 where: short stacking energy: -259.002 Base-Backbone interact. energy: 0.564 local terms energy: -370.800631 where: bonds (distance) C4'-P energy: -83.435 bonds (distance) P-C4' energy: -82.763 flat angles C4'-P-C4' energy: -92.057 flat angles P-C4'-P energy: -52.032 tors. eta vs tors. theta energy: -60.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -684.847661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.847661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.847661 (E_RNA) where: Base-Base interactions energy: -361.495 where: short stacking energy: -208.133 Base-Backbone interact. energy: -0.058 local terms energy: -323.294648 where: bonds (distance) C4'-P energy: -82.701 bonds (distance) P-C4' energy: -89.539 flat angles C4'-P-C4' energy: -84.203 flat angles P-C4'-P energy: -36.396 tors. eta vs tors. theta energy: -30.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -693.577312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.577312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.577312 (E_RNA) where: Base-Base interactions energy: -396.525 where: short stacking energy: -200.111 Base-Backbone interact. energy: -0.722 local terms energy: -296.330140 where: bonds (distance) C4'-P energy: -69.912 bonds (distance) P-C4' energy: -82.280 flat angles C4'-P-C4' energy: -70.212 flat angles P-C4'-P energy: -53.135 tors. eta vs tors. theta energy: -20.790 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: 7, replica: 9 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -482.388442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.388442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.388442 (E_RNA) where: Base-Base interactions energy: -197.012 where: short stacking energy: -142.113 Base-Backbone interact. energy: 2.839 local terms energy: -288.215160 where: bonds (distance) C4'-P energy: -95.381 bonds (distance) P-C4' energy: -82.156 flat angles C4'-P-C4' energy: -65.550 flat angles P-C4'-P energy: -36.913 tors. eta vs tors. theta energy: -8.214 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: 8, replica: 5 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -463.462258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.462258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.462258 (E_RNA) where: Base-Base interactions energy: -177.483 where: short stacking energy: -147.257 Base-Backbone interact. energy: 0.927 local terms energy: -286.905975 where: bonds (distance) C4'-P energy: -70.392 bonds (distance) P-C4' energy: -68.557 flat angles C4'-P-C4' energy: -88.638 flat angles P-C4'-P energy: -46.451 tors. eta vs tors. theta energy: -12.868 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: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -419.164120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.164120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.164120 (E_RNA) where: Base-Base interactions energy: -146.102 where: short stacking energy: -105.783 Base-Backbone interact. energy: -1.770 local terms energy: -271.291845 where: bonds (distance) C4'-P energy: -63.569 bonds (distance) P-C4' energy: -85.719 flat angles C4'-P-C4' energy: -78.906 flat angles P-C4'-P energy: -47.469 tors. eta vs tors. theta energy: 4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -348.818425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.818425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.818425 (E_RNA) where: Base-Base interactions energy: -117.646 where: short stacking energy: -102.966 Base-Backbone interact. energy: -1.236 local terms energy: -229.936584 where: bonds (distance) C4'-P energy: -77.269 bonds (distance) P-C4' energy: -83.105 flat angles C4'-P-C4' energy: -40.820 flat angles P-C4'-P energy: -38.044 tors. eta vs tors. theta energy: 9.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1050.155196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.155196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.155196 (E_RNA) where: Base-Base interactions energy: -623.463 where: short stacking energy: -338.394 Base-Backbone interact. energy: 0.464 local terms energy: -427.157059 where: bonds (distance) C4'-P energy: -88.750 bonds (distance) P-C4' energy: -98.436 flat angles C4'-P-C4' energy: -95.346 flat angles P-C4'-P energy: -56.859 tors. eta vs tors. theta energy: -87.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -904.490407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.490407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.490407 (E_RNA) where: Base-Base interactions energy: -503.039 where: short stacking energy: -303.948 Base-Backbone interact. energy: 0.884 local terms energy: -402.335411 where: bonds (distance) C4'-P energy: -87.311 bonds (distance) P-C4' energy: -86.499 flat angles C4'-P-C4' energy: -95.653 flat angles P-C4'-P energy: -57.907 tors. eta vs tors. theta energy: -74.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -939.395931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.395931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.395931 (E_RNA) where: Base-Base interactions energy: -555.853 where: short stacking energy: -285.338 Base-Backbone interact. energy: -0.236 local terms energy: -383.306506 where: bonds (distance) C4'-P energy: -80.389 bonds (distance) P-C4' energy: -94.555 flat angles C4'-P-C4' energy: -88.978 flat angles P-C4'-P energy: -61.372 tors. eta vs tors. theta energy: -58.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -737.250799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.250799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.250799 (E_RNA) where: Base-Base interactions energy: -383.717 where: short stacking energy: -229.137 Base-Backbone interact. energy: -2.189 local terms energy: -351.344812 where: bonds (distance) C4'-P energy: -85.607 bonds (distance) P-C4' energy: -97.142 flat angles C4'-P-C4' energy: -75.826 flat angles P-C4'-P energy: -52.169 tors. eta vs tors. theta energy: -40.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -775.921705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.921705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.921705 (E_RNA) where: Base-Base interactions energy: -432.227 where: short stacking energy: -226.256 Base-Backbone interact. energy: -2.002 local terms energy: -341.693008 where: bonds (distance) C4'-P energy: -90.476 bonds (distance) P-C4' energy: -75.331 flat angles C4'-P-C4' energy: -87.343 flat angles P-C4'-P energy: -50.973 tors. eta vs tors. theta energy: -37.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -653.454909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.454909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.454909 (E_RNA) where: Base-Base interactions energy: -353.461 where: short stacking energy: -203.208 Base-Backbone interact. energy: 0.997 local terms energy: -300.990707 where: bonds (distance) C4'-P energy: -80.536 bonds (distance) P-C4' energy: -79.632 flat angles C4'-P-C4' energy: -76.480 flat angles P-C4'-P energy: -48.085 tors. eta vs tors. theta energy: -16.258 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: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -461.509077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.509077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.509077 (E_RNA) where: Base-Base interactions energy: -182.963 where: short stacking energy: -160.157 Base-Backbone interact. energy: 3.372 local terms energy: -281.917998 where: bonds (distance) C4'-P energy: -68.761 bonds (distance) P-C4' energy: -83.739 flat angles C4'-P-C4' energy: -74.592 flat angles P-C4'-P energy: -46.990 tors. eta vs tors. theta energy: -7.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -489.195879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.195879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.195879 (E_RNA) where: Base-Base interactions energy: -235.874 where: short stacking energy: -137.943 Base-Backbone interact. energy: -0.797 local terms energy: -252.525155 where: bonds (distance) C4'-P energy: -78.619 bonds (distance) P-C4' energy: -73.922 flat angles C4'-P-C4' energy: -65.628 flat angles P-C4'-P energy: -37.219 tors. eta vs tors. theta energy: 2.862 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: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -411.461553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.461553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.461553 (E_RNA) where: Base-Base interactions energy: -155.293 where: short stacking energy: -125.962 Base-Backbone interact. energy: -2.244 local terms energy: -253.925093 where: bonds (distance) C4'-P energy: -73.546 bonds (distance) P-C4' energy: -72.440 flat angles C4'-P-C4' energy: -72.448 flat angles P-C4'-P energy: -42.950 tors. eta vs tors. theta energy: 7.458 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: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -372.536283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.536283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.536283 (E_RNA) where: Base-Base interactions energy: -129.534 where: short stacking energy: -91.537 Base-Backbone interact. energy: 4.531 local terms energy: -247.532467 where: bonds (distance) C4'-P energy: -97.660 bonds (distance) P-C4' energy: -76.677 flat angles C4'-P-C4' energy: -63.004 flat angles P-C4'-P energy: -37.254 tors. eta vs tors. theta energy: 27.062 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: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1101.778825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.778825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.778825 (E_RNA) where: Base-Base interactions energy: -668.708 where: short stacking energy: -347.688 Base-Backbone interact. energy: 1.961 local terms energy: -435.031389 where: bonds (distance) C4'-P energy: -97.048 bonds (distance) P-C4' energy: -95.445 flat angles C4'-P-C4' energy: -89.664 flat angles P-C4'-P energy: -65.097 tors. eta vs tors. theta energy: -87.777 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: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1087.746138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.746138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.746138 (E_RNA) where: Base-Base interactions energy: -664.498 where: short stacking energy: -338.927 Base-Backbone interact. energy: -3.206 local terms energy: -420.042472 where: bonds (distance) C4'-P energy: -83.498 bonds (distance) P-C4' energy: -89.769 flat angles C4'-P-C4' energy: -94.571 flat angles P-C4'-P energy: -64.088 tors. eta vs tors. theta energy: -88.117 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: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -802.441833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.441833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.441833 (E_RNA) where: Base-Base interactions energy: -424.823 where: short stacking energy: -262.244 Base-Backbone interact. energy: 0.482 local terms energy: -378.100515 where: bonds (distance) C4'-P energy: -84.264 bonds (distance) P-C4' energy: -97.073 flat angles C4'-P-C4' energy: -89.638 flat angles P-C4'-P energy: -54.973 tors. eta vs tors. theta energy: -52.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -822.455850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.455850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.455850 (E_RNA) where: Base-Base interactions energy: -460.635 where: short stacking energy: -239.059 Base-Backbone interact. energy: -1.216 local terms energy: -360.605483 where: bonds (distance) C4'-P energy: -80.941 bonds (distance) P-C4' energy: -86.891 flat angles C4'-P-C4' energy: -87.572 flat angles P-C4'-P energy: -47.233 tors. eta vs tors. theta energy: -57.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -703.545311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.545311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.545311 (E_RNA) where: Base-Base interactions energy: -363.734 where: short stacking energy: -219.152 Base-Backbone interact. energy: -1.698 local terms energy: -338.113197 where: bonds (distance) C4'-P energy: -66.306 bonds (distance) P-C4' energy: -92.986 flat angles C4'-P-C4' energy: -74.939 flat angles P-C4'-P energy: -57.222 tors. eta vs tors. theta energy: -46.660 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: 11 Temperature: 1.150000 Total energy: -662.371476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.371476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.371476 (E_RNA) where: Base-Base interactions energy: -381.258 where: short stacking energy: -197.867 Base-Backbone interact. energy: -0.067 local terms energy: -281.046265 where: bonds (distance) C4'-P energy: -59.359 bonds (distance) P-C4' energy: -85.653 flat angles C4'-P-C4' energy: -73.885 flat angles P-C4'-P energy: -40.484 tors. eta vs tors. theta energy: -21.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -559.256905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.256905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.256905 (E_RNA) where: Base-Base interactions energy: -255.996 where: short stacking energy: -149.931 Base-Backbone interact. energy: -2.623 local terms energy: -300.638366 where: bonds (distance) C4'-P energy: -75.850 bonds (distance) P-C4' energy: -93.215 flat angles C4'-P-C4' energy: -72.225 flat angles P-C4'-P energy: -46.507 tors. eta vs tors. theta energy: -12.842 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: 11 Temperature: 1.250000 Total energy: -485.530251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.530251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.530251 (E_RNA) where: Base-Base interactions energy: -241.509 where: short stacking energy: -132.564 Base-Backbone interact. energy: -1.375 local terms energy: -242.646243 where: bonds (distance) C4'-P energy: -80.877 bonds (distance) P-C4' energy: -78.153 flat angles C4'-P-C4' energy: -57.160 flat angles P-C4'-P energy: -46.249 tors. eta vs tors. theta energy: 19.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -402.455526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.455526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.455526 (E_RNA) where: Base-Base interactions energy: -154.145 where: short stacking energy: -109.424 Base-Backbone interact. energy: 0.494 local terms energy: -248.805394 where: bonds (distance) C4'-P energy: -78.363 bonds (distance) P-C4' energy: -64.337 flat angles C4'-P-C4' energy: -74.456 flat angles P-C4'-P energy: -45.739 tors. eta vs tors. theta energy: 14.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -349.503215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.503215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.503215 (E_RNA) where: Base-Base interactions energy: -125.313 where: short stacking energy: -94.744 Base-Backbone interact. energy: 0.346 local terms energy: -224.537103 where: bonds (distance) C4'-P energy: -72.300 bonds (distance) P-C4' energy: -78.957 flat angles C4'-P-C4' energy: -51.903 flat angles P-C4'-P energy: -34.624 tors. eta vs tors. theta energy: 13.246 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: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1188.406500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.406500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.406500 (E_RNA) where: Base-Base interactions energy: -724.915 where: short stacking energy: -370.680 Base-Backbone interact. energy: -1.152 local terms energy: -462.339931 where: bonds (distance) C4'-P energy: -82.615 bonds (distance) P-C4' energy: -93.643 flat angles C4'-P-C4' energy: -106.634 flat angles P-C4'-P energy: -74.918 tors. eta vs tors. theta energy: -104.530 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: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1063.165003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.165003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.165003 (E_RNA) where: Base-Base interactions energy: -645.236 where: short stacking energy: -324.424 Base-Backbone interact. energy: 0.695 local terms energy: -418.623611 where: bonds (distance) C4'-P energy: -76.942 bonds (distance) P-C4' energy: -108.272 flat angles C4'-P-C4' energy: -87.164 flat angles P-C4'-P energy: -59.150 tors. eta vs tors. theta energy: -87.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -814.569332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.569332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.569332 (E_RNA) where: Base-Base interactions energy: -436.428 where: short stacking energy: -272.880 Base-Backbone interact. energy: -0.671 local terms energy: -377.470588 where: bonds (distance) C4'-P energy: -89.183 bonds (distance) P-C4' energy: -91.674 flat angles C4'-P-C4' energy: -90.984 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -58.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -860.783436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.783436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.783436 (E_RNA) where: Base-Base interactions energy: -484.878 where: short stacking energy: -269.707 Base-Backbone interact. energy: -2.564 local terms energy: -373.340701 where: bonds (distance) C4'-P energy: -85.224 bonds (distance) P-C4' energy: -97.104 flat angles C4'-P-C4' energy: -89.427 flat angles P-C4'-P energy: -52.874 tors. eta vs tors. theta energy: -48.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -743.710930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.710930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.710930 (E_RNA) where: Base-Base interactions energy: -383.459 where: short stacking energy: -241.424 Base-Backbone interact. energy: -0.493 local terms energy: -359.758472 where: bonds (distance) C4'-P energy: -95.817 bonds (distance) P-C4' energy: -73.068 flat angles C4'-P-C4' energy: -81.120 flat angles P-C4'-P energy: -55.434 tors. eta vs tors. theta energy: -54.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -671.049859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.049859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.049859 (E_RNA) where: Base-Base interactions energy: -367.418 where: short stacking energy: -200.900 Base-Backbone interact. energy: 6.012 local terms energy: -309.643767 where: bonds (distance) C4'-P energy: -63.866 bonds (distance) P-C4' energy: -84.429 flat angles C4'-P-C4' energy: -84.112 flat angles P-C4'-P energy: -54.278 tors. eta vs tors. theta energy: -22.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -620.120241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.120241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.120241 (E_RNA) where: Base-Base interactions energy: -330.592 where: short stacking energy: -188.309 Base-Backbone interact. energy: -0.563 local terms energy: -288.965269 where: bonds (distance) C4'-P energy: -76.322 bonds (distance) P-C4' energy: -78.678 flat angles C4'-P-C4' energy: -68.217 flat angles P-C4'-P energy: -42.052 tors. eta vs tors. theta energy: -23.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -550.905051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.905051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.905051 (E_RNA) where: Base-Base interactions energy: -263.039 where: short stacking energy: -165.212 Base-Backbone interact. energy: 0.158 local terms energy: -288.024096 where: bonds (distance) C4'-P energy: -81.290 bonds (distance) P-C4' energy: -83.713 flat angles C4'-P-C4' energy: -71.653 flat angles P-C4'-P energy: -40.288 tors. eta vs tors. theta energy: -11.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -419.287354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.287354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.287354 (E_RNA) where: Base-Base interactions energy: -163.486 where: short stacking energy: -137.787 Base-Backbone interact. energy: 0.353 local terms energy: -256.153799 where: bonds (distance) C4'-P energy: -76.295 bonds (distance) P-C4' energy: -75.466 flat angles C4'-P-C4' energy: -68.362 flat angles P-C4'-P energy: -34.675 tors. eta vs tors. theta energy: -1.357 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: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -420.094607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.094607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.094607 (E_RNA) where: Base-Base interactions energy: -194.200 where: short stacking energy: -118.282 Base-Backbone interact. energy: -0.644 local terms energy: -225.250934 where: bonds (distance) C4'-P energy: -54.992 bonds (distance) P-C4' energy: -67.423 flat angles C4'-P-C4' energy: -88.896 flat angles P-C4'-P energy: -36.583 tors. eta vs tors. theta energy: 22.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1200.874837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.874837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.874837 (E_RNA) where: Base-Base interactions energy: -749.077 where: short stacking energy: -364.428 Base-Backbone interact. energy: -5.725 local terms energy: -446.072770 where: bonds (distance) C4'-P energy: -99.578 bonds (distance) P-C4' energy: -91.388 flat angles C4'-P-C4' energy: -102.678 flat angles P-C4'-P energy: -61.705 tors. eta vs tors. theta energy: -90.724 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: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1040.707332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.707332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.707332 (E_RNA) where: Base-Base interactions energy: -587.281 where: short stacking energy: -331.215 Base-Backbone interact. energy: 0.024 local terms energy: -453.450301 where: bonds (distance) C4'-P energy: -97.624 bonds (distance) P-C4' energy: -93.899 flat angles C4'-P-C4' energy: -102.377 flat angles P-C4'-P energy: -71.273 tors. eta vs tors. theta energy: -88.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -826.943580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.943580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.943580 (E_RNA) where: Base-Base interactions energy: -444.145 where: short stacking energy: -258.070 Base-Backbone interact. energy: -3.063 local terms energy: -379.735565 where: bonds (distance) C4'-P energy: -82.782 bonds (distance) P-C4' energy: -86.863 flat angles C4'-P-C4' energy: -84.544 flat angles P-C4'-P energy: -62.732 tors. eta vs tors. theta energy: -62.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -904.341302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.341302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.341302 (E_RNA) where: Base-Base interactions energy: -508.500 where: short stacking energy: -293.481 Base-Backbone interact. energy: -2.168 local terms energy: -393.672670 where: bonds (distance) C4'-P energy: -83.632 bonds (distance) P-C4' energy: -89.453 flat angles C4'-P-C4' energy: -82.255 flat angles P-C4'-P energy: -55.678 tors. eta vs tors. theta energy: -82.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -759.572977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.572977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.572977 (E_RNA) where: Base-Base interactions energy: -434.034 where: short stacking energy: -228.743 Base-Backbone interact. energy: -2.509 local terms energy: -323.029958 where: bonds (distance) C4'-P energy: -87.225 bonds (distance) P-C4' energy: -82.895 flat angles C4'-P-C4' energy: -69.826 flat angles P-C4'-P energy: -45.679 tors. eta vs tors. theta energy: -37.405 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: 13 Temperature: 1.150000 Total energy: -696.009363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.009363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.009363 (E_RNA) where: Base-Base interactions energy: -360.130 where: short stacking energy: -180.308 Base-Backbone interact. energy: -0.500 local terms energy: -335.379639 where: bonds (distance) C4'-P energy: -84.876 bonds (distance) P-C4' energy: -81.415 flat angles C4'-P-C4' energy: -77.473 flat angles P-C4'-P energy: -56.682 tors. eta vs tors. theta energy: -34.932 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: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -657.343975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.343975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.343975 (E_RNA) where: Base-Base interactions energy: -340.843 where: short stacking energy: -187.754 Base-Backbone interact. energy: 0.866 local terms energy: -317.367712 where: bonds (distance) C4'-P energy: -86.373 bonds (distance) P-C4' energy: -70.613 flat angles C4'-P-C4' energy: -84.960 flat angles P-C4'-P energy: -49.058 tors. eta vs tors. theta energy: -26.364 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: 8, replica: 5 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -498.608375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.608375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.608375 (E_RNA) where: Base-Base interactions energy: -230.693 where: short stacking energy: -134.668 Base-Backbone interact. energy: 0.018 local terms energy: -267.933456 where: bonds (distance) C4'-P energy: -70.269 bonds (distance) P-C4' energy: -90.021 flat angles C4'-P-C4' energy: -68.128 flat angles P-C4'-P energy: -31.649 tors. eta vs tors. theta energy: -7.866 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: 7 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -393.770787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.770787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.770787 (E_RNA) where: Base-Base interactions energy: -159.694 where: short stacking energy: -119.054 Base-Backbone interact. energy: 0.129 local terms energy: -234.205277 where: bonds (distance) C4'-P energy: -74.366 bonds (distance) P-C4' energy: -72.151 flat angles C4'-P-C4' energy: -59.794 flat angles P-C4'-P energy: -29.970 tors. eta vs tors. theta energy: 2.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -422.315662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.315662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.315662 (E_RNA) where: Base-Base interactions energy: -183.083 where: short stacking energy: -132.721 Base-Backbone interact. energy: 1.197 local terms energy: -240.430383 where: bonds (distance) C4'-P energy: -60.840 bonds (distance) P-C4' energy: -72.835 flat angles C4'-P-C4' energy: -68.789 flat angles P-C4'-P energy: -56.792 tors. eta vs tors. theta energy: 18.826 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: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1215.341503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.341503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.341503 (E_RNA) where: Base-Base interactions energy: -771.866 where: short stacking energy: -364.796 Base-Backbone interact. energy: -3.059 local terms energy: -440.416544 where: bonds (distance) C4'-P energy: -87.301 bonds (distance) P-C4' energy: -88.769 flat angles C4'-P-C4' energy: -101.427 flat angles P-C4'-P energy: -68.166 tors. eta vs tors. theta energy: -94.754 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: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1032.147283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.147283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.147283 (E_RNA) where: Base-Base interactions energy: -605.495 where: short stacking energy: -333.374 Base-Backbone interact. energy: 0.344 local terms energy: -426.996567 where: bonds (distance) C4'-P energy: -85.370 bonds (distance) P-C4' energy: -98.543 flat angles C4'-P-C4' energy: -98.717 flat angles P-C4'-P energy: -56.309 tors. eta vs tors. theta energy: -88.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -941.219052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.219052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.219052 (E_RNA) where: Base-Base interactions energy: -554.438 where: short stacking energy: -293.915 Base-Backbone interact. energy: 2.116 local terms energy: -388.896836 where: bonds (distance) C4'-P energy: -88.031 bonds (distance) P-C4' energy: -95.810 flat angles C4'-P-C4' energy: -85.802 flat angles P-C4'-P energy: -59.896 tors. eta vs tors. theta energy: -59.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -745.316384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.316384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.316384 (E_RNA) where: Base-Base interactions energy: -406.626 where: short stacking energy: -272.860 Base-Backbone interact. energy: 0.760 local terms energy: -339.450430 where: bonds (distance) C4'-P energy: -73.239 bonds (distance) P-C4' energy: -87.285 flat angles C4'-P-C4' energy: -81.083 flat angles P-C4'-P energy: -52.794 tors. eta vs tors. theta energy: -45.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -794.134654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.134654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.134654 (E_RNA) where: Base-Base interactions energy: -457.168 where: short stacking energy: -237.633 Base-Backbone interact. energy: -1.009 local terms energy: -335.957379 where: bonds (distance) C4'-P energy: -81.529 bonds (distance) P-C4' energy: -79.350 flat angles C4'-P-C4' energy: -89.528 flat angles P-C4'-P energy: -46.176 tors. eta vs tors. theta energy: -39.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -684.851220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.851220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.851220 (E_RNA) where: Base-Base interactions energy: -357.332 where: short stacking energy: -213.081 Base-Backbone interact. energy: -2.399 local terms energy: -325.120579 where: bonds (distance) C4'-P energy: -91.449 bonds (distance) P-C4' energy: -64.622 flat angles C4'-P-C4' energy: -90.531 flat angles P-C4'-P energy: -55.859 tors. eta vs tors. theta energy: -22.660 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: 2 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -700.789844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.789844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.789844 (E_RNA) where: Base-Base interactions energy: -421.954 where: short stacking energy: -183.964 Base-Backbone interact. energy: 0.903 local terms energy: -279.739629 where: bonds (distance) C4'-P energy: -61.323 bonds (distance) P-C4' energy: -92.367 flat angles C4'-P-C4' energy: -78.311 flat angles P-C4'-P energy: -41.001 tors. eta vs tors. theta energy: -6.737 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: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -531.402787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.402787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.402787 (E_RNA) where: Base-Base interactions energy: -267.999 where: short stacking energy: -137.739 Base-Backbone interact. energy: -1.882 local terms energy: -261.521698 where: bonds (distance) C4'-P energy: -75.375 bonds (distance) P-C4' energy: -90.948 flat angles C4'-P-C4' energy: -60.192 flat angles P-C4'-P energy: -41.948 tors. eta vs tors. theta energy: 6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -455.761825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.761825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.761825 (E_RNA) where: Base-Base interactions energy: -191.750 where: short stacking energy: -137.277 Base-Backbone interact. energy: 4.217 local terms energy: -268.228209 where: bonds (distance) C4'-P energy: -68.707 bonds (distance) P-C4' energy: -77.479 flat angles C4'-P-C4' energy: -68.012 flat angles P-C4'-P energy: -48.454 tors. eta vs tors. theta energy: -5.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -360.758891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.758891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.758891 (E_RNA) where: Base-Base interactions energy: -105.667 where: short stacking energy: -87.833 Base-Backbone interact. energy: -0.382 local terms energy: -254.709969 where: bonds (distance) C4'-P energy: -64.537 bonds (distance) P-C4' energy: -75.374 flat angles C4'-P-C4' energy: -66.314 flat angles P-C4'-P energy: -58.293 tors. eta vs tors. theta energy: 9.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1214.278743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.278743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.278743 (E_RNA) where: Base-Base interactions energy: -798.494 where: short stacking energy: -353.372 Base-Backbone interact. energy: -2.020 local terms energy: -413.764733 where: bonds (distance) C4'-P energy: -89.919 bonds (distance) P-C4' energy: -88.986 flat angles C4'-P-C4' energy: -96.231 flat angles P-C4'-P energy: -49.221 tors. eta vs tors. theta energy: -89.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1153.760942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.760942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.760942 (E_RNA) where: Base-Base interactions energy: -685.912 where: short stacking energy: -346.502 Base-Backbone interact. energy: -0.118 local terms energy: -467.731198 where: bonds (distance) C4'-P energy: -93.772 bonds (distance) P-C4' energy: -95.371 flat angles C4'-P-C4' energy: -106.736 flat angles P-C4'-P energy: -68.999 tors. eta vs tors. theta energy: -102.852 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: 8 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -931.521999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.521999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.521999 (E_RNA) where: Base-Base interactions energy: -547.768 where: short stacking energy: -293.890 Base-Backbone interact. energy: -2.911 local terms energy: -380.843713 where: bonds (distance) C4'-P energy: -78.723 bonds (distance) P-C4' energy: -89.145 flat angles C4'-P-C4' energy: -83.620 flat angles P-C4'-P energy: -55.101 tors. eta vs tors. theta energy: -74.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -847.227638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.227638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.227638 (E_RNA) where: Base-Base interactions energy: -476.674 where: short stacking energy: -262.313 Base-Backbone interact. energy: 0.074 local terms energy: -370.627182 where: bonds (distance) C4'-P energy: -81.888 bonds (distance) P-C4' energy: -79.827 flat angles C4'-P-C4' energy: -87.884 flat angles P-C4'-P energy: -59.765 tors. eta vs tors. theta energy: -61.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -717.684907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.684907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.684907 (E_RNA) where: Base-Base interactions energy: -359.392 where: short stacking energy: -230.338 Base-Backbone interact. energy: 1.767 local terms energy: -360.060364 where: bonds (distance) C4'-P energy: -87.263 bonds (distance) P-C4' energy: -88.406 flat angles C4'-P-C4' energy: -90.205 flat angles P-C4'-P energy: -63.355 tors. eta vs tors. theta energy: -30.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -708.951984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.951984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.951984 (E_RNA) where: Base-Base interactions energy: -402.616 where: short stacking energy: -203.919 Base-Backbone interact. energy: -1.724 local terms energy: -304.611717 where: bonds (distance) C4'-P energy: -77.424 bonds (distance) P-C4' energy: -89.550 flat angles C4'-P-C4' energy: -64.658 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: -26.497 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: 15 Temperature: 1.200000 Total energy: -687.711708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.711708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.711708 (E_RNA) where: Base-Base interactions energy: -372.597 where: short stacking energy: -194.830 Base-Backbone interact. energy: -3.509 local terms energy: -311.605768 where: bonds (distance) C4'-P energy: -91.166 bonds (distance) P-C4' energy: -67.653 flat angles C4'-P-C4' energy: -75.361 flat angles P-C4'-P energy: -44.148 tors. eta vs tors. theta energy: -33.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -662.034637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.034637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.034637 (E_RNA) where: Base-Base interactions energy: -363.750 where: short stacking energy: -160.740 Base-Backbone interact. energy: 0.548 local terms energy: -298.832632 where: bonds (distance) C4'-P energy: -82.742 bonds (distance) P-C4' energy: -76.271 flat angles C4'-P-C4' energy: -62.744 flat angles P-C4'-P energy: -47.470 tors. eta vs tors. theta energy: -29.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -400.670764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.670764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.670764 (E_RNA) where: Base-Base interactions energy: -154.019 where: short stacking energy: -99.561 Base-Backbone interact. energy: -1.493 local terms energy: -245.158830 where: bonds (distance) C4'-P energy: -79.430 bonds (distance) P-C4' energy: -86.232 flat angles C4'-P-C4' energy: -53.927 flat angles P-C4'-P energy: -51.288 tors. eta vs tors. theta energy: 25.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -355.672572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.672572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.672572 (E_RNA) where: Base-Base interactions energy: -104.952 where: short stacking energy: -92.076 Base-Backbone interact. energy: -0.055 local terms energy: -250.665967 where: bonds (distance) C4'-P energy: -77.436 bonds (distance) P-C4' energy: -76.353 flat angles C4'-P-C4' energy: -69.229 flat angles P-C4'-P energy: -46.110 tors. eta vs tors. theta energy: 18.462 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: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1233.476028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.476028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.476028 (E_RNA) where: Base-Base interactions energy: -778.091 where: short stacking energy: -349.312 Base-Backbone interact. energy: -1.338 local terms energy: -454.046402 where: bonds (distance) C4'-P energy: -91.130 bonds (distance) P-C4' energy: -103.039 flat angles C4'-P-C4' energy: -95.087 flat angles P-C4'-P energy: -63.434 tors. eta vs tors. theta energy: -101.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1132.180381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.180381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.180381 (E_RNA) where: Base-Base interactions energy: -692.483 where: short stacking energy: -349.925 Base-Backbone interact. energy: -1.821 local terms energy: -437.875981 where: bonds (distance) C4'-P energy: -84.651 bonds (distance) P-C4' energy: -104.262 flat angles C4'-P-C4' energy: -92.941 flat angles P-C4'-P energy: -59.191 tors. eta vs tors. theta energy: -96.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -969.851382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.851382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.851382 (E_RNA) where: Base-Base interactions energy: -579.997 where: short stacking energy: -284.665 Base-Backbone interact. energy: -0.694 local terms energy: -389.160813 where: bonds (distance) C4'-P energy: -80.741 bonds (distance) P-C4' energy: -88.118 flat angles C4'-P-C4' energy: -97.625 flat angles P-C4'-P energy: -63.549 tors. eta vs tors. theta energy: -59.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -883.734123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.734123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.734123 (E_RNA) where: Base-Base interactions energy: -488.425 where: short stacking energy: -284.608 Base-Backbone interact. energy: -1.269 local terms energy: -394.039982 where: bonds (distance) C4'-P energy: -78.441 bonds (distance) P-C4' energy: -83.822 flat angles C4'-P-C4' energy: -96.505 flat angles P-C4'-P energy: -63.778 tors. eta vs tors. theta energy: -71.495 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: 9 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -818.884329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.884329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.884329 (E_RNA) where: Base-Base interactions energy: -489.667 where: short stacking energy: -236.281 Base-Backbone interact. energy: 4.730 local terms energy: -333.946920 where: bonds (distance) C4'-P energy: -85.511 bonds (distance) P-C4' energy: -85.095 flat angles C4'-P-C4' energy: -74.214 flat angles P-C4'-P energy: -51.513 tors. eta vs tors. theta energy: -37.614 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: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -542.865228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.865228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.865228 (E_RNA) where: Base-Base interactions energy: -225.329 where: short stacking energy: -138.084 Base-Backbone interact. energy: -3.373 local terms energy: -314.162834 where: bonds (distance) C4'-P energy: -82.107 bonds (distance) P-C4' energy: -83.833 flat angles C4'-P-C4' energy: -86.236 flat angles P-C4'-P energy: -46.215 tors. eta vs tors. theta energy: -15.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -792.675828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.675828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.675828 (E_RNA) where: Base-Base interactions energy: -486.736 where: short stacking energy: -230.348 Base-Backbone interact. energy: -1.736 local terms energy: -304.203746 where: bonds (distance) C4'-P energy: -76.646 bonds (distance) P-C4' energy: -75.324 flat angles C4'-P-C4' energy: -78.688 flat angles P-C4'-P energy: -46.225 tors. eta vs tors. theta energy: -27.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -613.508940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.508940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.508940 (E_RNA) where: Base-Base interactions energy: -339.322 where: short stacking energy: -168.688 Base-Backbone interact. energy: 0.703 local terms energy: -274.889832 where: bonds (distance) C4'-P energy: -68.508 bonds (distance) P-C4' energy: -90.426 flat angles C4'-P-C4' energy: -58.442 flat angles P-C4'-P energy: -32.383 tors. eta vs tors. theta energy: -25.131 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: 7 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -386.560434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.560434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.560434 (E_RNA) where: Base-Base interactions energy: -145.113 where: short stacking energy: -122.944 Base-Backbone interact. energy: 5.970 local terms energy: -247.417038 where: bonds (distance) C4'-P energy: -69.445 bonds (distance) P-C4' energy: -69.834 flat angles C4'-P-C4' energy: -71.013 flat angles P-C4'-P energy: -32.735 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -397.656720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.656720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.656720 (E_RNA) where: Base-Base interactions energy: -145.884 where: short stacking energy: -115.379 Base-Backbone interact. energy: -1.747 local terms energy: -250.025813 where: bonds (distance) C4'-P energy: -83.686 bonds (distance) P-C4' energy: -77.845 flat angles C4'-P-C4' energy: -59.813 flat angles P-C4'-P energy: -31.705 tors. eta vs tors. theta energy: 3.023 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: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1275.329583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.329583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.329583 (E_RNA) where: Base-Base interactions energy: -823.127 where: short stacking energy: -361.057 Base-Backbone interact. energy: 0.534 local terms energy: -452.736452 where: bonds (distance) C4'-P energy: -100.293 bonds (distance) P-C4' energy: -93.678 flat angles C4'-P-C4' energy: -90.878 flat angles P-C4'-P energy: -65.869 tors. eta vs tors. theta energy: -102.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1134.825474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.825474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.825474 (E_RNA) where: Base-Base interactions energy: -712.583 where: short stacking energy: -349.625 Base-Backbone interact. energy: -3.165 local terms energy: -419.077374 where: bonds (distance) C4'-P energy: -95.970 bonds (distance) P-C4' energy: -86.120 flat angles C4'-P-C4' energy: -82.221 flat angles P-C4'-P energy: -53.813 tors. eta vs tors. theta energy: -100.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -940.039468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.039468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.039468 (E_RNA) where: Base-Base interactions energy: -548.038 where: short stacking energy: -288.675 Base-Backbone interact. energy: -1.747 local terms energy: -390.254511 where: bonds (distance) C4'-P energy: -89.765 bonds (distance) P-C4' energy: -82.870 flat angles C4'-P-C4' energy: -81.764 flat angles P-C4'-P energy: -69.379 tors. eta vs tors. theta energy: -66.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -943.267521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.267521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.267521 (E_RNA) where: Base-Base interactions energy: -558.312 where: short stacking energy: -256.387 Base-Backbone interact. energy: -0.808 local terms energy: -384.147303 where: bonds (distance) C4'-P energy: -91.285 bonds (distance) P-C4' energy: -86.764 flat angles C4'-P-C4' energy: -93.480 flat angles P-C4'-P energy: -62.932 tors. eta vs tors. theta energy: -49.686 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: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -863.968100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.968100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.968100 (E_RNA) where: Base-Base interactions energy: -517.427 where: short stacking energy: -248.531 Base-Backbone interact. energy: -2.688 local terms energy: -343.853010 where: bonds (distance) C4'-P energy: -73.588 bonds (distance) P-C4' energy: -80.869 flat angles C4'-P-C4' energy: -88.445 flat angles P-C4'-P energy: -43.873 tors. eta vs tors. theta energy: -57.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -902.253780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.253780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.253780 (E_RNA) where: Base-Base interactions energy: -519.840 where: short stacking energy: -251.601 Base-Backbone interact. energy: -1.023 local terms energy: -381.391180 where: bonds (distance) C4'-P energy: -97.781 bonds (distance) P-C4' energy: -76.741 flat angles C4'-P-C4' energy: -88.530 flat angles P-C4'-P energy: -55.464 tors. eta vs tors. theta energy: -62.875 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: 17 Temperature: 1.200000 Total energy: -552.448913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.448913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.448913 (E_RNA) where: Base-Base interactions energy: -289.018 where: short stacking energy: -182.540 Base-Backbone interact. energy: 3.606 local terms energy: -267.037601 where: bonds (distance) C4'-P energy: -61.877 bonds (distance) P-C4' energy: -73.223 flat angles C4'-P-C4' energy: -79.864 flat angles P-C4'-P energy: -39.050 tors. eta vs tors. theta energy: -13.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -653.169805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.169805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.169805 (E_RNA) where: Base-Base interactions energy: -392.031 where: short stacking energy: -181.130 Base-Backbone interact. energy: 0.174 local terms energy: -261.313367 where: bonds (distance) C4'-P energy: -80.588 bonds (distance) P-C4' energy: -90.304 flat angles C4'-P-C4' energy: -43.955 flat angles P-C4'-P energy: -37.230 tors. eta vs tors. theta energy: -9.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -415.805587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.805587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.805587 (E_RNA) where: Base-Base interactions energy: -155.789 where: short stacking energy: -120.257 Base-Backbone interact. energy: -1.021 local terms energy: -258.995939 where: bonds (distance) C4'-P energy: -83.653 bonds (distance) P-C4' energy: -75.466 flat angles C4'-P-C4' energy: -72.891 flat angles P-C4'-P energy: -32.530 tors. eta vs tors. theta energy: 5.543 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: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -358.498062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.498062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.498062 (E_RNA) where: Base-Base interactions energy: -125.182 where: short stacking energy: -102.813 Base-Backbone interact. energy: 1.830 local terms energy: -235.145534 where: bonds (distance) C4'-P energy: -61.288 bonds (distance) P-C4' energy: -78.321 flat angles C4'-P-C4' energy: -69.421 flat angles P-C4'-P energy: -40.408 tors. eta vs tors. theta energy: 14.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1234.987234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.987234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.987234 (E_RNA) where: Base-Base interactions energy: -793.578 where: short stacking energy: -362.334 Base-Backbone interact. energy: 0.126 local terms energy: -441.535218 where: bonds (distance) C4'-P energy: -96.253 bonds (distance) P-C4' energy: -97.433 flat angles C4'-P-C4' energy: -97.343 flat angles P-C4'-P energy: -55.793 tors. eta vs tors. theta energy: -94.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1144.487869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.487869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.487869 (E_RNA) where: Base-Base interactions energy: -698.943 where: short stacking energy: -345.808 Base-Backbone interact. energy: -1.668 local terms energy: -443.877087 where: bonds (distance) C4'-P energy: -97.920 bonds (distance) P-C4' energy: -89.403 flat angles C4'-P-C4' energy: -82.827 flat angles P-C4'-P energy: -74.773 tors. eta vs tors. theta energy: -98.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -989.756463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.756463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.756463 (E_RNA) where: Base-Base interactions energy: -621.600 where: short stacking energy: -273.592 Base-Backbone interact. energy: 0.333 local terms energy: -368.490255 where: bonds (distance) C4'-P energy: -80.802 bonds (distance) P-C4' energy: -82.652 flat angles C4'-P-C4' energy: -87.515 flat angles P-C4'-P energy: -59.189 tors. eta vs tors. theta energy: -58.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -918.536969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.536969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.536969 (E_RNA) where: Base-Base interactions energy: -525.752 where: short stacking energy: -270.092 Base-Backbone interact. energy: -2.646 local terms energy: -390.138843 where: bonds (distance) C4'-P energy: -92.281 bonds (distance) P-C4' energy: -102.872 flat angles C4'-P-C4' energy: -82.788 flat angles P-C4'-P energy: -60.648 tors. eta vs tors. theta energy: -51.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -967.278909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.278909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.278909 (E_RNA) where: Base-Base interactions energy: -594.057 where: short stacking energy: -276.659 Base-Backbone interact. energy: -0.399 local terms energy: -372.822793 where: bonds (distance) C4'-P energy: -78.534 bonds (distance) P-C4' energy: -83.175 flat angles C4'-P-C4' energy: -93.358 flat angles P-C4'-P energy: -59.855 tors. eta vs tors. theta energy: -57.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -847.709491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.709491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.709491 (E_RNA) where: Base-Base interactions energy: -501.937 where: short stacking energy: -251.957 Base-Backbone interact. energy: -0.027 local terms energy: -345.745380 where: bonds (distance) C4'-P energy: -69.698 bonds (distance) P-C4' energy: -79.658 flat angles C4'-P-C4' energy: -72.657 flat angles P-C4'-P energy: -65.714 tors. eta vs tors. theta energy: -58.018 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: 18 Temperature: 1.200000 Total energy: -716.207849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.207849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.207849 (E_RNA) where: Base-Base interactions energy: -391.207 where: short stacking energy: -180.885 Base-Backbone interact. energy: -0.945 local terms energy: -324.055493 where: bonds (distance) C4'-P energy: -75.914 bonds (distance) P-C4' energy: -76.165 flat angles C4'-P-C4' energy: -70.846 flat angles P-C4'-P energy: -55.882 tors. eta vs tors. theta energy: -45.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -500.768715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.768715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.768715 (E_RNA) where: Base-Base interactions energy: -249.668 where: short stacking energy: -131.000 Base-Backbone interact. energy: 2.174 local terms energy: -253.274549 where: bonds (distance) C4'-P energy: -67.614 bonds (distance) P-C4' energy: -77.334 flat angles C4'-P-C4' energy: -61.267 flat angles P-C4'-P energy: -50.364 tors. eta vs tors. theta energy: 3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -387.626432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.626432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.626432 (E_RNA) where: Base-Base interactions energy: -143.500 where: short stacking energy: -111.527 Base-Backbone interact. energy: -2.266 local terms energy: -241.860336 where: bonds (distance) C4'-P energy: -77.085 bonds (distance) P-C4' energy: -79.644 flat angles C4'-P-C4' energy: -62.704 flat angles P-C4'-P energy: -38.540 tors. eta vs tors. theta energy: 16.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -378.631738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.631738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.631738 (E_RNA) where: Base-Base interactions energy: -123.935 where: short stacking energy: -97.964 Base-Backbone interact. energy: 1.601 local terms energy: -256.297432 where: bonds (distance) C4'-P energy: -80.866 bonds (distance) P-C4' energy: -82.022 flat angles C4'-P-C4' energy: -72.651 flat angles P-C4'-P energy: -40.219 tors. eta vs tors. theta energy: 19.460 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: 1, replica: 6 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1262.658556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.658556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.658556 (E_RNA) where: Base-Base interactions energy: -788.351 where: short stacking energy: -390.134 Base-Backbone interact. energy: -5.476 local terms energy: -468.831912 where: bonds (distance) C4'-P energy: -86.188 bonds (distance) P-C4' energy: -99.080 flat angles C4'-P-C4' energy: -107.538 flat angles P-C4'-P energy: -63.226 tors. eta vs tors. theta energy: -112.800 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: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1126.016291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.016291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.016291 (E_RNA) where: Base-Base interactions energy: -705.642 where: short stacking energy: -342.279 Base-Backbone interact. energy: 0.819 local terms energy: -421.192897 where: bonds (distance) C4'-P energy: -89.265 bonds (distance) P-C4' energy: -93.023 flat angles C4'-P-C4' energy: -97.754 flat angles P-C4'-P energy: -50.737 tors. eta vs tors. theta energy: -90.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1012.866263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.866263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.866263 (E_RNA) where: Base-Base interactions energy: -616.112 where: short stacking energy: -306.754 Base-Backbone interact. energy: -0.494 local terms energy: -396.260026 where: bonds (distance) C4'-P energy: -73.770 bonds (distance) P-C4' energy: -94.950 flat angles C4'-P-C4' energy: -94.534 flat angles P-C4'-P energy: -64.239 tors. eta vs tors. theta energy: -68.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1060.373754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.373754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.373754 (E_RNA) where: Base-Base interactions energy: -667.393 where: short stacking energy: -303.144 Base-Backbone interact. energy: -2.002 local terms energy: -390.979146 where: bonds (distance) C4'-P energy: -84.082 bonds (distance) P-C4' energy: -91.242 flat angles C4'-P-C4' energy: -86.664 flat angles P-C4'-P energy: -53.974 tors. eta vs tors. theta energy: -75.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -874.535232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.535232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.535232 (E_RNA) where: Base-Base interactions energy: -533.609 where: short stacking energy: -285.113 Base-Backbone interact. energy: -0.560 local terms energy: -340.367134 where: bonds (distance) C4'-P energy: -75.076 bonds (distance) P-C4' energy: -81.004 flat angles C4'-P-C4' energy: -81.671 flat angles P-C4'-P energy: -43.744 tors. eta vs tors. theta energy: -58.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -760.362459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.362459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.362459 (E_RNA) where: Base-Base interactions energy: -396.543 where: short stacking energy: -199.778 Base-Backbone interact. energy: -3.632 local terms energy: -360.187476 where: bonds (distance) C4'-P energy: -84.113 bonds (distance) P-C4' energy: -76.915 flat angles C4'-P-C4' energy: -92.658 flat angles P-C4'-P energy: -59.522 tors. eta vs tors. theta energy: -46.979 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: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -723.518282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.518282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.518282 (E_RNA) where: Base-Base interactions energy: -411.149 where: short stacking energy: -207.558 Base-Backbone interact. energy: -1.941 local terms energy: -310.427596 where: bonds (distance) C4'-P energy: -75.450 bonds (distance) P-C4' energy: -76.798 flat angles C4'-P-C4' energy: -82.706 flat angles P-C4'-P energy: -45.151 tors. eta vs tors. theta energy: -30.323 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: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -495.833788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.833788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.833788 (E_RNA) where: Base-Base interactions energy: -212.688 where: short stacking energy: -140.067 Base-Backbone interact. energy: 0.570 local terms energy: -283.716259 where: bonds (distance) C4'-P energy: -74.797 bonds (distance) P-C4' energy: -82.715 flat angles C4'-P-C4' energy: -72.450 flat angles P-C4'-P energy: -41.876 tors. eta vs tors. theta energy: -11.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -429.179621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.179621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.179621 (E_RNA) where: Base-Base interactions energy: -167.679 where: short stacking energy: -123.454 Base-Backbone interact. energy: 1.012 local terms energy: -262.512894 where: bonds (distance) C4'-P energy: -64.906 bonds (distance) P-C4' energy: -94.191 flat angles C4'-P-C4' energy: -68.245 flat angles P-C4'-P energy: -40.714 tors. eta vs tors. theta energy: 5.543 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: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -355.810566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.810566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.810566 (E_RNA) where: Base-Base interactions energy: -119.203 where: short stacking energy: -100.803 Base-Backbone interact. energy: -1.943 local terms energy: -234.664278 where: bonds (distance) C4'-P energy: -70.238 bonds (distance) P-C4' energy: -85.264 flat angles C4'-P-C4' energy: -60.556 flat angles P-C4'-P energy: -20.053 tors. eta vs tors. theta energy: 1.447 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: 1, replica: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1279.206878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.206878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.206878 (E_RNA) where: Base-Base interactions energy: -838.971 where: short stacking energy: -384.942 Base-Backbone interact. energy: 2.336 local terms energy: -442.572206 where: bonds (distance) C4'-P energy: -93.735 bonds (distance) P-C4' energy: -96.732 flat angles C4'-P-C4' energy: -80.268 flat angles P-C4'-P energy: -59.994 tors. eta vs tors. theta energy: -111.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1175.329050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.329050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.329050 (E_RNA) where: Base-Base interactions energy: -720.258 where: short stacking energy: -370.164 Base-Backbone interact. energy: 3.198 local terms energy: -458.268358 where: bonds (distance) C4'-P energy: -100.960 bonds (distance) P-C4' energy: -93.964 flat angles C4'-P-C4' energy: -94.904 flat angles P-C4'-P energy: -59.346 tors. eta vs tors. theta energy: -109.095 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: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1178.186784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.186784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.186784 (E_RNA) where: Base-Base interactions energy: -757.047 where: short stacking energy: -329.196 Base-Backbone interact. energy: -1.528 local terms energy: -419.612240 where: bonds (distance) C4'-P energy: -94.454 bonds (distance) P-C4' energy: -81.071 flat angles C4'-P-C4' energy: -105.212 flat angles P-C4'-P energy: -53.676 tors. eta vs tors. theta energy: -85.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1027.928360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.928360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.928360 (E_RNA) where: Base-Base interactions energy: -656.399 where: short stacking energy: -302.591 Base-Backbone interact. energy: -1.571 local terms energy: -369.959066 where: bonds (distance) C4'-P energy: -76.950 bonds (distance) P-C4' energy: -80.651 flat angles C4'-P-C4' energy: -85.226 flat angles P-C4'-P energy: -51.272 tors. eta vs tors. theta energy: -75.861 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: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -848.269374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.269374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.269374 (E_RNA) where: Base-Base interactions energy: -512.351 where: short stacking energy: -263.670 Base-Backbone interact. energy: -1.954 local terms energy: -333.964307 where: bonds (distance) C4'-P energy: -79.270 bonds (distance) P-C4' energy: -78.019 flat angles C4'-P-C4' energy: -63.902 flat angles P-C4'-P energy: -54.152 tors. eta vs tors. theta energy: -58.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -747.742606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.742606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.742606 (E_RNA) where: Base-Base interactions energy: -409.979 where: short stacking energy: -232.060 Base-Backbone interact. energy: 8.105 local terms energy: -345.869156 where: bonds (distance) C4'-P energy: -79.247 bonds (distance) P-C4' energy: -95.789 flat angles C4'-P-C4' energy: -86.806 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: -42.133 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: 20 Temperature: 1.200000 Total energy: -649.140120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.140120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.140120 (E_RNA) where: Base-Base interactions energy: -365.395 where: short stacking energy: -195.147 Base-Backbone interact. energy: -1.303 local terms energy: -282.441627 where: bonds (distance) C4'-P energy: -58.518 bonds (distance) P-C4' energy: -75.940 flat angles C4'-P-C4' energy: -74.395 flat angles P-C4'-P energy: -49.690 tors. eta vs tors. theta energy: -23.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -502.558941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.558941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.558941 (E_RNA) where: Base-Base interactions energy: -201.424 where: short stacking energy: -142.034 Base-Backbone interact. energy: -2.043 local terms energy: -299.091860 where: bonds (distance) C4'-P energy: -75.147 bonds (distance) P-C4' energy: -90.154 flat angles C4'-P-C4' energy: -73.313 flat angles P-C4'-P energy: -42.319 tors. eta vs tors. theta energy: -18.158 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: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -426.140834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.140834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.140834 (E_RNA) where: Base-Base interactions energy: -176.371 where: short stacking energy: -128.083 Base-Backbone interact. energy: 2.632 local terms energy: -252.401057 where: bonds (distance) C4'-P energy: -71.085 bonds (distance) P-C4' energy: -78.117 flat angles C4'-P-C4' energy: -73.060 flat angles P-C4'-P energy: -36.891 tors. eta vs tors. theta energy: 6.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -364.804154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.804154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.804154 (E_RNA) where: Base-Base interactions energy: -132.513 where: short stacking energy: -113.422 Base-Backbone interact. energy: 0.293 local terms energy: -232.583726 where: bonds (distance) C4'-P energy: -72.186 bonds (distance) P-C4' energy: -74.718 flat angles C4'-P-C4' energy: -68.227 flat angles P-C4'-P energy: -39.449 tors. eta vs tors. theta energy: 21.996 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: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1265.679758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.679758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.679758 (E_RNA) where: Base-Base interactions energy: -834.914 where: short stacking energy: -353.174 Base-Backbone interact. energy: -2.765 local terms energy: -428.001042 where: bonds (distance) C4'-P energy: -82.019 bonds (distance) P-C4' energy: -90.747 flat angles C4'-P-C4' energy: -103.914 flat angles P-C4'-P energy: -56.661 tors. eta vs tors. theta energy: -94.660 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: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1160.939710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.939710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.939710 (E_RNA) where: Base-Base interactions energy: -754.554 where: short stacking energy: -342.093 Base-Backbone interact. energy: 0.435 local terms energy: -406.820644 where: bonds (distance) C4'-P energy: -81.018 bonds (distance) P-C4' energy: -84.668 flat angles C4'-P-C4' energy: -83.392 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: -97.854 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: 3, replica: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1196.055407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.055407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.055407 (E_RNA) where: Base-Base interactions energy: -765.360 where: short stacking energy: -328.671 Base-Backbone interact. energy: -3.190 local terms energy: -427.505338 where: bonds (distance) C4'-P energy: -95.675 bonds (distance) P-C4' energy: -89.089 flat angles C4'-P-C4' energy: -92.192 flat angles P-C4'-P energy: -64.839 tors. eta vs tors. theta energy: -85.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -988.475789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.475789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.475789 (E_RNA) where: Base-Base interactions energy: -594.060 where: short stacking energy: -312.229 Base-Backbone interact. energy: -0.146 local terms energy: -394.269429 where: bonds (distance) C4'-P energy: -80.757 bonds (distance) P-C4' energy: -86.837 flat angles C4'-P-C4' energy: -89.239 flat angles P-C4'-P energy: -57.343 tors. eta vs tors. theta energy: -80.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -920.944788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.944788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.944788 (E_RNA) where: Base-Base interactions energy: -541.031 where: short stacking energy: -253.335 Base-Backbone interact. energy: -1.832 local terms energy: -378.080921 where: bonds (distance) C4'-P energy: -85.675 bonds (distance) P-C4' energy: -84.358 flat angles C4'-P-C4' energy: -84.369 flat angles P-C4'-P energy: -61.704 tors. eta vs tors. theta energy: -61.975 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: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -761.969169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.969169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.969169 (E_RNA) where: Base-Base interactions energy: -427.593 where: short stacking energy: -211.550 Base-Backbone interact. energy: -2.306 local terms energy: -332.069862 where: bonds (distance) C4'-P energy: -59.280 bonds (distance) P-C4' energy: -100.296 flat angles C4'-P-C4' energy: -82.594 flat angles P-C4'-P energy: -49.839 tors. eta vs tors. theta energy: -40.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -675.942772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.942772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.942772 (E_RNA) where: Base-Base interactions energy: -374.562 where: short stacking energy: -185.833 Base-Backbone interact. energy: -2.224 local terms energy: -299.157374 where: bonds (distance) C4'-P energy: -71.877 bonds (distance) P-C4' energy: -76.833 flat angles C4'-P-C4' energy: -62.173 flat angles P-C4'-P energy: -54.813 tors. eta vs tors. theta energy: -33.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -447.019883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.019883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.019883 (E_RNA) where: Base-Base interactions energy: -176.331 where: short stacking energy: -128.540 Base-Backbone interact. energy: -0.266 local terms energy: -270.422813 where: bonds (distance) C4'-P energy: -75.898 bonds (distance) P-C4' energy: -72.930 flat angles C4'-P-C4' energy: -75.292 flat angles P-C4'-P energy: -51.520 tors. eta vs tors. theta energy: 5.218 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: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -387.448441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.448441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.448441 (E_RNA) where: Base-Base interactions energy: -149.080 where: short stacking energy: -119.926 Base-Backbone interact. energy: 0.988 local terms energy: -239.355925 where: bonds (distance) C4'-P energy: -66.937 bonds (distance) P-C4' energy: -77.979 flat angles C4'-P-C4' energy: -61.472 flat angles P-C4'-P energy: -45.243 tors. eta vs tors. theta energy: 12.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -351.348708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.348708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.348708 (E_RNA) where: Base-Base interactions energy: -100.666 where: short stacking energy: -96.531 Base-Backbone interact. energy: 1.879 local terms energy: -252.561349 where: bonds (distance) C4'-P energy: -71.242 bonds (distance) P-C4' energy: -79.125 flat angles C4'-P-C4' energy: -71.855 flat angles P-C4'-P energy: -31.376 tors. eta vs tors. theta energy: 1.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1275.322730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.322730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.322730 (E_RNA) where: Base-Base interactions energy: -824.441 where: short stacking energy: -365.631 Base-Backbone interact. energy: -3.399 local terms energy: -447.482616 where: bonds (distance) C4'-P energy: -98.225 bonds (distance) P-C4' energy: -94.154 flat angles C4'-P-C4' energy: -93.880 flat angles P-C4'-P energy: -63.306 tors. eta vs tors. theta energy: -97.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1165.271127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.271127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.271127 (E_RNA) where: Base-Base interactions energy: -724.450 where: short stacking energy: -357.302 Base-Backbone interact. energy: -2.086 local terms energy: -438.735259 where: bonds (distance) C4'-P energy: -80.068 bonds (distance) P-C4' energy: -92.500 flat angles C4'-P-C4' energy: -101.771 flat angles P-C4'-P energy: -59.186 tors. eta vs tors. theta energy: -105.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1236.198940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.198940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.198940 (E_RNA) where: Base-Base interactions energy: -812.066 where: short stacking energy: -367.812 Base-Backbone interact. energy: -1.747 local terms energy: -422.386283 where: bonds (distance) C4'-P energy: -86.787 bonds (distance) P-C4' energy: -86.594 flat angles C4'-P-C4' energy: -91.716 flat angles P-C4'-P energy: -60.401 tors. eta vs tors. theta energy: -96.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1038.086560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.086560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.086560 (E_RNA) where: Base-Base interactions energy: -630.594 where: short stacking energy: -306.704 Base-Backbone interact. energy: -1.846 local terms energy: -405.646873 where: bonds (distance) C4'-P energy: -93.715 bonds (distance) P-C4' energy: -76.323 flat angles C4'-P-C4' energy: -97.181 flat angles P-C4'-P energy: -60.114 tors. eta vs tors. theta energy: -78.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -887.460932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.460932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.460932 (E_RNA) where: Base-Base interactions energy: -519.659 where: short stacking energy: -263.215 Base-Backbone interact. energy: -2.066 local terms energy: -365.736015 where: bonds (distance) C4'-P energy: -82.731 bonds (distance) P-C4' energy: -90.327 flat angles C4'-P-C4' energy: -90.468 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -58.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -801.682688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.682688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.682688 (E_RNA) where: Base-Base interactions energy: -480.105 where: short stacking energy: -230.412 Base-Backbone interact. energy: 0.826 local terms energy: -322.403589 where: bonds (distance) C4'-P energy: -77.947 bonds (distance) P-C4' energy: -82.938 flat angles C4'-P-C4' energy: -78.548 flat angles P-C4'-P energy: -52.370 tors. eta vs tors. theta energy: -30.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -563.044880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.044880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.044880 (E_RNA) where: Base-Base interactions energy: -264.660 where: short stacking energy: -168.957 Base-Backbone interact. energy: -1.653 local terms energy: -296.732118 where: bonds (distance) C4'-P energy: -69.986 bonds (distance) P-C4' energy: -82.121 flat angles C4'-P-C4' energy: -64.928 flat angles P-C4'-P energy: -51.235 tors. eta vs tors. theta energy: -28.461 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: 8, replica: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -431.557794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.557794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.557794 (E_RNA) where: Base-Base interactions energy: -172.784 where: short stacking energy: -130.561 Base-Backbone interact. energy: -0.335 local terms energy: -258.438727 where: bonds (distance) C4'-P energy: -82.480 bonds (distance) P-C4' energy: -76.266 flat angles C4'-P-C4' energy: -71.767 flat angles P-C4'-P energy: -36.897 tors. eta vs tors. theta energy: 8.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -393.142900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.142900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.142900 (E_RNA) where: Base-Base interactions energy: -141.632 where: short stacking energy: -100.432 Base-Backbone interact. energy: -0.620 local terms energy: -250.890820 where: bonds (distance) C4'-P energy: -78.221 bonds (distance) P-C4' energy: -83.673 flat angles C4'-P-C4' energy: -71.339 flat angles P-C4'-P energy: -35.936 tors. eta vs tors. theta energy: 18.278 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: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -354.700992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.700992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.700992 (E_RNA) where: Base-Base interactions energy: -113.677 where: short stacking energy: -86.231 Base-Backbone interact. energy: 1.086 local terms energy: -242.110365 where: bonds (distance) C4'-P energy: -78.716 bonds (distance) P-C4' energy: -78.766 flat angles C4'-P-C4' energy: -75.865 flat angles P-C4'-P energy: -39.801 tors. eta vs tors. theta energy: 31.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1275.158892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.158892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.158892 (E_RNA) where: Base-Base interactions energy: -846.520 where: short stacking energy: -354.440 Base-Backbone interact. energy: -4.681 local terms energy: -423.957443 where: bonds (distance) C4'-P energy: -79.808 bonds (distance) P-C4' energy: -92.252 flat angles C4'-P-C4' energy: -88.847 flat angles P-C4'-P energy: -65.739 tors. eta vs tors. theta energy: -97.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1272.494267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.494267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.494267 (E_RNA) where: Base-Base interactions energy: -821.692 where: short stacking energy: -364.758 Base-Backbone interact. energy: -3.524 local terms energy: -447.278269 where: bonds (distance) C4'-P energy: -86.222 bonds (distance) P-C4' energy: -92.246 flat angles C4'-P-C4' energy: -104.723 flat angles P-C4'-P energy: -67.537 tors. eta vs tors. theta energy: -96.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1137.954550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.954550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.954550 (E_RNA) where: Base-Base interactions energy: -715.090 where: short stacking energy: -363.778 Base-Backbone interact. energy: 0.084 local terms energy: -422.948196 where: bonds (distance) C4'-P energy: -73.136 bonds (distance) P-C4' energy: -89.856 flat angles C4'-P-C4' energy: -93.922 flat angles P-C4'-P energy: -64.563 tors. eta vs tors. theta energy: -101.471 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: 9 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -969.139126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.139126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.139126 (E_RNA) where: Base-Base interactions energy: -600.686 where: short stacking energy: -282.705 Base-Backbone interact. energy: 0.910 local terms energy: -369.362737 where: bonds (distance) C4'-P energy: -94.226 bonds (distance) P-C4' energy: -81.299 flat angles C4'-P-C4' energy: -82.415 flat angles P-C4'-P energy: -51.907 tors. eta vs tors. theta energy: -59.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -936.530412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.530412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.530412 (E_RNA) where: Base-Base interactions energy: -540.118 where: short stacking energy: -280.915 Base-Backbone interact. energy: -2.094 local terms energy: -394.317758 where: bonds (distance) C4'-P energy: -83.036 bonds (distance) P-C4' energy: -92.269 flat angles C4'-P-C4' energy: -91.699 flat angles P-C4'-P energy: -60.359 tors. eta vs tors. theta energy: -66.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -838.530050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.530050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.530050 (E_RNA) where: Base-Base interactions energy: -505.596 where: short stacking energy: -252.120 Base-Backbone interact. energy: -0.461 local terms energy: -332.472786 where: bonds (distance) C4'-P energy: -73.995 bonds (distance) P-C4' energy: -78.991 flat angles C4'-P-C4' energy: -82.076 flat angles P-C4'-P energy: -41.141 tors. eta vs tors. theta energy: -56.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -593.978849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.978849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.978849 (E_RNA) where: Base-Base interactions energy: -265.867 where: short stacking energy: -172.762 Base-Backbone interact. energy: -0.760 local terms energy: -327.352065 where: bonds (distance) C4'-P energy: -79.907 bonds (distance) P-C4' energy: -83.497 flat angles C4'-P-C4' energy: -80.752 flat angles P-C4'-P energy: -45.862 tors. eta vs tors. theta energy: -37.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -408.740425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.740425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.740425 (E_RNA) where: Base-Base interactions energy: -164.714 where: short stacking energy: -123.833 Base-Backbone interact. energy: 9.372 local terms energy: -253.398127 where: bonds (distance) C4'-P energy: -64.786 bonds (distance) P-C4' energy: -100.361 flat angles C4'-P-C4' energy: -52.861 flat angles P-C4'-P energy: -35.520 tors. eta vs tors. theta energy: 0.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -427.219934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.219934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.219934 (E_RNA) where: Base-Base interactions energy: -168.264 where: short stacking energy: -110.794 Base-Backbone interact. energy: -1.448 local terms energy: -257.508250 where: bonds (distance) C4'-P energy: -78.768 bonds (distance) P-C4' energy: -89.918 flat angles C4'-P-C4' energy: -66.378 flat angles P-C4'-P energy: -27.696 tors. eta vs tors. theta energy: 5.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -360.751129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.751129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.751129 (E_RNA) where: Base-Base interactions energy: -126.939 where: short stacking energy: -99.905 Base-Backbone interact. energy: -1.120 local terms energy: -232.691868 where: bonds (distance) C4'-P energy: -55.137 bonds (distance) P-C4' energy: -82.692 flat angles C4'-P-C4' energy: -60.934 flat angles P-C4'-P energy: -49.159 tors. eta vs tors. theta energy: 15.230 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: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1295.643832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.643832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.643832 (E_RNA) where: Base-Base interactions energy: -819.250 where: short stacking energy: -401.528 Base-Backbone interact. energy: -2.885 local terms energy: -473.509118 where: bonds (distance) C4'-P energy: -98.554 bonds (distance) P-C4' energy: -100.374 flat angles C4'-P-C4' energy: -99.236 flat angles P-C4'-P energy: -62.217 tors. eta vs tors. theta energy: -113.128 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: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1319.670960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.670960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.670960 (E_RNA) where: Base-Base interactions energy: -878.279 where: short stacking energy: -383.181 Base-Backbone interact. energy: -3.430 local terms energy: -437.961924 where: bonds (distance) C4'-P energy: -93.767 bonds (distance) P-C4' energy: -84.915 flat angles C4'-P-C4' energy: -96.040 flat angles P-C4'-P energy: -60.257 tors. eta vs tors. theta energy: -102.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1131.202915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.202915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.202915 (E_RNA) where: Base-Base interactions energy: -727.621 where: short stacking energy: -346.490 Base-Backbone interact. energy: 4.622 local terms energy: -408.203096 where: bonds (distance) C4'-P energy: -88.467 bonds (distance) P-C4' energy: -75.971 flat angles C4'-P-C4' energy: -95.766 flat angles P-C4'-P energy: -56.527 tors. eta vs tors. theta energy: -91.474 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: 9 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1011.043527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.043527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.043527 (E_RNA) where: Base-Base interactions energy: -608.783 where: short stacking energy: -295.017 Base-Backbone interact. energy: -1.128 local terms energy: -401.132781 where: bonds (distance) C4'-P energy: -84.195 bonds (distance) P-C4' energy: -87.580 flat angles C4'-P-C4' energy: -94.647 flat angles P-C4'-P energy: -63.227 tors. eta vs tors. theta energy: -71.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -933.824558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.824558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.824558 (E_RNA) where: Base-Base interactions energy: -552.211 where: short stacking energy: -278.370 Base-Backbone interact. energy: 0.387 local terms energy: -382.000074 where: bonds (distance) C4'-P energy: -87.044 bonds (distance) P-C4' energy: -82.492 flat angles C4'-P-C4' energy: -85.575 flat angles P-C4'-P energy: -58.455 tors. eta vs tors. theta energy: -68.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -801.606188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.606188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.606188 (E_RNA) where: Base-Base interactions energy: -493.331 where: short stacking energy: -227.122 Base-Backbone interact. energy: -0.590 local terms energy: -307.685556 where: bonds (distance) C4'-P energy: -72.942 bonds (distance) P-C4' energy: -79.722 flat angles C4'-P-C4' energy: -77.019 flat angles P-C4'-P energy: -41.277 tors. eta vs tors. theta energy: -36.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -564.196928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.196928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.196928 (E_RNA) where: Base-Base interactions energy: -268.718 where: short stacking energy: -183.027 Base-Backbone interact. energy: -3.098 local terms energy: -292.380579 where: bonds (distance) C4'-P energy: -70.551 bonds (distance) P-C4' energy: -74.307 flat angles C4'-P-C4' energy: -72.699 flat angles P-C4'-P energy: -54.751 tors. eta vs tors. theta energy: -20.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -434.149507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.149507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.149507 (E_RNA) where: Base-Base interactions energy: -164.683 where: short stacking energy: -137.438 Base-Backbone interact. energy: 3.731 local terms energy: -273.197484 where: bonds (distance) C4'-P energy: -81.424 bonds (distance) P-C4' energy: -78.764 flat angles C4'-P-C4' energy: -64.828 flat angles P-C4'-P energy: -39.148 tors. eta vs tors. theta energy: -9.034 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: 1 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -460.285233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.285233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.285233 (E_RNA) where: Base-Base interactions energy: -196.432 where: short stacking energy: -134.552 Base-Backbone interact. energy: 0.658 local terms energy: -264.510615 where: bonds (distance) C4'-P energy: -76.071 bonds (distance) P-C4' energy: -74.673 flat angles C4'-P-C4' energy: -68.276 flat angles P-C4'-P energy: -48.896 tors. eta vs tors. theta energy: 3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -359.524357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.524357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.524357 (E_RNA) where: Base-Base interactions energy: -139.450 where: short stacking energy: -101.601 Base-Backbone interact. energy: -0.015 local terms energy: -220.059704 where: bonds (distance) C4'-P energy: -62.444 bonds (distance) P-C4' energy: -61.616 flat angles C4'-P-C4' energy: -60.006 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: 11.155 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: 6 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1269.567020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.567020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.567020 (E_RNA) where: Base-Base interactions energy: -816.986 where: short stacking energy: -364.066 Base-Backbone interact. energy: -3.251 local terms energy: -449.330351 where: bonds (distance) C4'-P energy: -86.787 bonds (distance) P-C4' energy: -97.947 flat angles C4'-P-C4' energy: -100.672 flat angles P-C4'-P energy: -57.757 tors. eta vs tors. theta energy: -106.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1344.494753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.494753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.494753 (E_RNA) where: Base-Base interactions energy: -880.902 where: short stacking energy: -386.156 Base-Backbone interact. energy: -0.237 local terms energy: -463.355942 where: bonds (distance) C4'-P energy: -97.407 bonds (distance) P-C4' energy: -100.171 flat angles C4'-P-C4' energy: -96.107 flat angles P-C4'-P energy: -70.609 tors. eta vs tors. theta energy: -99.062 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: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1171.164423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.164423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.164423 (E_RNA) where: Base-Base interactions energy: -727.456 where: short stacking energy: -356.978 Base-Backbone interact. energy: -2.777 local terms energy: -440.931427 where: bonds (distance) C4'-P energy: -79.946 bonds (distance) P-C4' energy: -88.389 flat angles C4'-P-C4' energy: -100.873 flat angles P-C4'-P energy: -67.345 tors. eta vs tors. theta energy: -104.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1007.114255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.114255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.114255 (E_RNA) where: Base-Base interactions energy: -624.142 where: short stacking energy: -309.470 Base-Backbone interact. energy: 1.321 local terms energy: -384.293529 where: bonds (distance) C4'-P energy: -78.524 bonds (distance) P-C4' energy: -79.454 flat angles C4'-P-C4' energy: -86.712 flat angles P-C4'-P energy: -74.574 tors. eta vs tors. theta energy: -65.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -904.988179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.988179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.988179 (E_RNA) where: Base-Base interactions energy: -548.253 where: short stacking energy: -268.385 Base-Backbone interact. energy: -2.538 local terms energy: -354.196931 where: bonds (distance) C4'-P energy: -92.830 bonds (distance) P-C4' energy: -85.053 flat angles C4'-P-C4' energy: -74.155 flat angles P-C4'-P energy: -49.472 tors. eta vs tors. theta energy: -52.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -834.365028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.365028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.365028 (E_RNA) where: Base-Base interactions energy: -494.554 where: short stacking energy: -220.756 Base-Backbone interact. energy: 0.812 local terms energy: -340.622645 where: bonds (distance) C4'-P energy: -84.144 bonds (distance) P-C4' energy: -83.891 flat angles C4'-P-C4' energy: -80.246 flat angles P-C4'-P energy: -50.390 tors. eta vs tors. theta energy: -41.952 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: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -572.108619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.108619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.108619 (E_RNA) where: Base-Base interactions energy: -277.948 where: short stacking energy: -175.944 Base-Backbone interact. energy: 1.644 local terms energy: -295.804554 where: bonds (distance) C4'-P energy: -74.499 bonds (distance) P-C4' energy: -84.767 flat angles C4'-P-C4' energy: -75.318 flat angles P-C4'-P energy: -54.209 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -435.394080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.394080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.394080 (E_RNA) where: Base-Base interactions energy: -177.867 where: short stacking energy: -136.850 Base-Backbone interact. energy: -1.315 local terms energy: -256.212300 where: bonds (distance) C4'-P energy: -70.896 bonds (distance) P-C4' energy: -80.983 flat angles C4'-P-C4' energy: -70.597 flat angles P-C4'-P energy: -35.778 tors. eta vs tors. theta energy: 2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -392.564647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.564647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.564647 (E_RNA) where: Base-Base interactions energy: -165.229 where: short stacking energy: -128.509 Base-Backbone interact. energy: -0.648 local terms energy: -226.687932 where: bonds (distance) C4'-P energy: -44.313 bonds (distance) P-C4' energy: -91.583 flat angles C4'-P-C4' energy: -75.274 flat angles P-C4'-P energy: -19.582 tors. eta vs tors. theta energy: 4.064 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: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -367.663151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.663151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.663151 (E_RNA) where: Base-Base interactions energy: -114.043 where: short stacking energy: -87.485 Base-Backbone interact. energy: -2.725 local terms energy: -250.895715 where: bonds (distance) C4'-P energy: -72.668 bonds (distance) P-C4' energy: -84.332 flat angles C4'-P-C4' energy: -62.727 flat angles P-C4'-P energy: -46.947 tors. eta vs tors. theta energy: 15.779 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: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1396.419704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.419704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.419704 (E_RNA) where: Base-Base interactions energy: -924.893 where: short stacking energy: -405.883 Base-Backbone interact. energy: -3.740 local terms energy: -467.786893 where: bonds (distance) C4'-P energy: -89.372 bonds (distance) P-C4' energy: -96.760 flat angles C4'-P-C4' energy: -102.233 flat angles P-C4'-P energy: -64.076 tors. eta vs tors. theta energy: -115.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1250.008972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.008972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.008972 (E_RNA) where: Base-Base interactions energy: -819.445 where: short stacking energy: -364.049 Base-Backbone interact. energy: -3.492 local terms energy: -427.071926 where: bonds (distance) C4'-P energy: -83.358 bonds (distance) P-C4' energy: -78.603 flat angles C4'-P-C4' energy: -100.547 flat angles P-C4'-P energy: -65.155 tors. eta vs tors. theta energy: -99.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1132.146458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.146458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.146458 (E_RNA) where: Base-Base interactions energy: -756.691 where: short stacking energy: -342.716 Base-Backbone interact. energy: -1.208 local terms energy: -374.247447 where: bonds (distance) C4'-P energy: -87.501 bonds (distance) P-C4' energy: -75.291 flat angles C4'-P-C4' energy: -93.529 flat angles P-C4'-P energy: -36.033 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: 4, replica: 9 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1012.034320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.034320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.034320 (E_RNA) where: Base-Base interactions energy: -639.530 where: short stacking energy: -316.462 Base-Backbone interact. energy: -1.527 local terms energy: -370.977349 where: bonds (distance) C4'-P energy: -64.439 bonds (distance) P-C4' energy: -79.620 flat angles C4'-P-C4' energy: -90.785 flat angles P-C4'-P energy: -58.389 tors. eta vs tors. theta energy: -77.744 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: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -931.359425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.359425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.359425 (E_RNA) where: Base-Base interactions energy: -554.177 where: short stacking energy: -286.033 Base-Backbone interact. energy: -0.945 local terms energy: -376.237645 where: bonds (distance) C4'-P energy: -77.627 bonds (distance) P-C4' energy: -86.980 flat angles C4'-P-C4' energy: -80.638 flat angles P-C4'-P energy: -63.767 tors. eta vs tors. theta energy: -67.226 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: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -792.807485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.807485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.807485 (E_RNA) where: Base-Base interactions energy: -438.623 where: short stacking energy: -221.633 Base-Backbone interact. energy: -0.880 local terms energy: -353.304053 where: bonds (distance) C4'-P energy: -87.266 bonds (distance) P-C4' energy: -95.878 flat angles C4'-P-C4' energy: -76.107 flat angles P-C4'-P energy: -57.050 tors. eta vs tors. theta energy: -37.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -435.506991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.506991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.506991 (E_RNA) where: Base-Base interactions energy: -200.410 where: short stacking energy: -144.148 Base-Backbone interact. energy: 2.346 local terms energy: -237.443721 where: bonds (distance) C4'-P energy: -78.743 bonds (distance) P-C4' energy: -80.198 flat angles C4'-P-C4' energy: -59.189 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: 16.660 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: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -642.273569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.273569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.273569 (E_RNA) where: Base-Base interactions energy: -359.231 where: short stacking energy: -153.520 Base-Backbone interact. energy: -2.742 local terms energy: -280.300480 where: bonds (distance) C4'-P energy: -80.161 bonds (distance) P-C4' energy: -72.069 flat angles C4'-P-C4' energy: -79.466 flat angles P-C4'-P energy: -46.384 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -390.421443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.421443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.421443 (E_RNA) where: Base-Base interactions energy: -160.325 where: short stacking energy: -142.115 Base-Backbone interact. energy: -1.203 local terms energy: -228.892795 where: bonds (distance) C4'-P energy: -70.289 bonds (distance) P-C4' energy: -66.975 flat angles C4'-P-C4' energy: -63.334 flat angles P-C4'-P energy: -27.010 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -357.559506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.559506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.559506 (E_RNA) where: Base-Base interactions energy: -129.066 where: short stacking energy: -91.831 Base-Backbone interact. energy: -1.256 local terms energy: -227.237260 where: bonds (distance) C4'-P energy: -71.571 bonds (distance) P-C4' energy: -71.553 flat angles C4'-P-C4' energy: -70.584 flat angles P-C4'-P energy: -38.453 tors. eta vs tors. theta energy: 24.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1367.380517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.380517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.380517 (E_RNA) where: Base-Base interactions energy: -892.679 where: short stacking energy: -403.987 Base-Backbone interact. energy: -1.140 local terms energy: -473.561982 where: bonds (distance) C4'-P energy: -97.859 bonds (distance) P-C4' energy: -94.473 flat angles C4'-P-C4' energy: -100.307 flat angles P-C4'-P energy: -69.756 tors. eta vs tors. theta energy: -111.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1237.273120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.273120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.273120 (E_RNA) where: Base-Base interactions energy: -795.061 where: short stacking energy: -363.413 Base-Backbone interact. energy: -2.434 local terms energy: -439.778006 where: bonds (distance) C4'-P energy: -93.030 bonds (distance) P-C4' energy: -95.533 flat angles C4'-P-C4' energy: -100.149 flat angles P-C4'-P energy: -60.169 tors. eta vs tors. theta energy: -90.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1092.654046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.654046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.654046 (E_RNA) where: Base-Base interactions energy: -686.552 where: short stacking energy: -338.189 Base-Backbone interact. energy: -1.626 local terms energy: -404.475663 where: bonds (distance) C4'-P energy: -80.928 bonds (distance) P-C4' energy: -85.155 flat angles C4'-P-C4' energy: -79.900 flat angles P-C4'-P energy: -57.235 tors. eta vs tors. theta energy: -101.257 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: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1050.163816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.163816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.163816 (E_RNA) where: Base-Base interactions energy: -641.260 where: short stacking energy: -325.233 Base-Backbone interact. energy: 1.285 local terms energy: -410.189611 where: bonds (distance) C4'-P energy: -79.446 bonds (distance) P-C4' energy: -93.099 flat angles C4'-P-C4' energy: -94.953 flat angles P-C4'-P energy: -55.753 tors. eta vs tors. theta energy: -86.940 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: 27 Temperature: 1.100000 Total energy: -915.940179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.940179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.940179 (E_RNA) where: Base-Base interactions energy: -562.751 where: short stacking energy: -266.782 Base-Backbone interact. energy: 3.703 local terms energy: -356.892350 where: bonds (distance) C4'-P energy: -76.487 bonds (distance) P-C4' energy: -88.598 flat angles C4'-P-C4' energy: -77.232 flat angles P-C4'-P energy: -59.773 tors. eta vs tors. theta energy: -54.804 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: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -778.230179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.230179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.230179 (E_RNA) where: Base-Base interactions energy: -438.409 where: short stacking energy: -231.954 Base-Backbone interact. energy: 0.141 local terms energy: -339.961949 where: bonds (distance) C4'-P energy: -85.717 bonds (distance) P-C4' energy: -85.081 flat angles C4'-P-C4' energy: -79.696 flat angles P-C4'-P energy: -50.653 tors. eta vs tors. theta energy: -38.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -478.646258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.646258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.646258 (E_RNA) where: Base-Base interactions energy: -177.991 where: short stacking energy: -137.432 Base-Backbone interact. energy: -1.017 local terms energy: -299.637949 where: bonds (distance) C4'-P energy: -83.588 bonds (distance) P-C4' energy: -88.231 flat angles C4'-P-C4' energy: -81.357 flat angles P-C4'-P energy: -41.153 tors. eta vs tors. theta energy: -5.309 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: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -773.550312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.550312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.550312 (E_RNA) where: Base-Base interactions energy: -476.258 where: short stacking energy: -205.417 Base-Backbone interact. energy: -2.047 local terms energy: -295.245694 where: bonds (distance) C4'-P energy: -78.568 bonds (distance) P-C4' energy: -78.841 flat angles C4'-P-C4' energy: -61.661 flat angles P-C4'-P energy: -43.399 tors. eta vs tors. theta energy: -32.776 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: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -396.410707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.410707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.410707 (E_RNA) where: Base-Base interactions energy: -143.542 where: short stacking energy: -108.801 Base-Backbone interact. energy: 3.799 local terms energy: -256.668093 where: bonds (distance) C4'-P energy: -87.099 bonds (distance) P-C4' energy: -65.275 flat angles C4'-P-C4' energy: -67.770 flat angles P-C4'-P energy: -50.061 tors. eta vs tors. theta energy: 13.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -360.640324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.640324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.640324 (E_RNA) where: Base-Base interactions energy: -114.335 where: short stacking energy: -85.998 Base-Backbone interact. energy: -3.541 local terms energy: -242.764720 where: bonds (distance) C4'-P energy: -77.046 bonds (distance) P-C4' energy: -84.262 flat angles C4'-P-C4' energy: -62.413 flat angles P-C4'-P energy: -27.989 tors. eta vs tors. theta energy: 8.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1410.242176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.242176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.242176 (E_RNA) where: Base-Base interactions energy: -940.479 where: short stacking energy: -408.336 Base-Backbone interact. energy: -6.345 local terms energy: -463.418165 where: bonds (distance) C4'-P energy: -93.700 bonds (distance) P-C4' energy: -91.735 flat angles C4'-P-C4' energy: -97.790 flat angles P-C4'-P energy: -70.793 tors. eta vs tors. theta energy: -109.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1238.199258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.199258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.199258 (E_RNA) where: Base-Base interactions energy: -801.129 where: short stacking energy: -374.383 Base-Backbone interact. energy: -3.698 local terms energy: -433.372867 where: bonds (distance) C4'-P energy: -88.327 bonds (distance) P-C4' energy: -91.685 flat angles C4'-P-C4' energy: -87.724 flat angles P-C4'-P energy: -60.570 tors. eta vs tors. theta energy: -105.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1049.696822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.696822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.696822 (E_RNA) where: Base-Base interactions energy: -640.395 where: short stacking energy: -328.556 Base-Backbone interact. energy: -2.105 local terms energy: -407.197381 where: bonds (distance) C4'-P energy: -76.419 bonds (distance) P-C4' energy: -86.585 flat angles C4'-P-C4' energy: -95.036 flat angles P-C4'-P energy: -68.458 tors. eta vs tors. theta energy: -80.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1005.959084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.959084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.959084 (E_RNA) where: Base-Base interactions energy: -620.238 where: short stacking energy: -297.224 Base-Backbone interact. energy: 0.220 local terms energy: -385.940655 where: bonds (distance) C4'-P energy: -83.133 bonds (distance) P-C4' energy: -92.064 flat angles C4'-P-C4' energy: -80.702 flat angles P-C4'-P energy: -54.618 tors. eta vs tors. theta energy: -75.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -938.896342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.896342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.896342 (E_RNA) where: Base-Base interactions energy: -581.301 where: short stacking energy: -289.516 Base-Backbone interact. energy: -0.629 local terms energy: -356.966167 where: bonds (distance) C4'-P energy: -78.558 bonds (distance) P-C4' energy: -80.701 flat angles C4'-P-C4' energy: -67.922 flat angles P-C4'-P energy: -57.316 tors. eta vs tors. theta energy: -72.468 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: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -829.077532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.077532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.077532 (E_RNA) where: Base-Base interactions energy: -484.021 where: short stacking energy: -244.451 Base-Backbone interact. energy: 2.347 local terms energy: -347.403692 where: bonds (distance) C4'-P energy: -82.526 bonds (distance) P-C4' energy: -77.639 flat angles C4'-P-C4' energy: -76.374 flat angles P-C4'-P energy: -62.389 tors. eta vs tors. theta energy: -48.475 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: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -877.490540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.490540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.490540 (E_RNA) where: Base-Base interactions energy: -553.986 where: short stacking energy: -248.614 Base-Backbone interact. energy: -3.520 local terms energy: -319.984759 where: bonds (distance) C4'-P energy: -77.666 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -72.953 flat angles P-C4'-P energy: -62.200 tors. eta vs tors. theta energy: -39.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -426.363657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.363657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.363657 (E_RNA) where: Base-Base interactions energy: -158.465 where: short stacking energy: -128.984 Base-Backbone interact. energy: -0.385 local terms energy: -267.513555 where: bonds (distance) C4'-P energy: -79.095 bonds (distance) P-C4' energy: -76.091 flat angles C4'-P-C4' energy: -65.618 flat angles P-C4'-P energy: -53.358 tors. eta vs tors. theta energy: 6.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -395.249193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.249193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.249193 (E_RNA) where: Base-Base interactions energy: -153.137 where: short stacking energy: -100.755 Base-Backbone interact. energy: 1.087 local terms energy: -243.199597 where: bonds (distance) C4'-P energy: -82.741 bonds (distance) P-C4' energy: -78.444 flat angles C4'-P-C4' energy: -59.440 flat angles P-C4'-P energy: -35.877 tors. eta vs tors. theta energy: 13.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -394.681265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.681265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.681265 (E_RNA) where: Base-Base interactions energy: -166.782 where: short stacking energy: -132.067 Base-Backbone interact. energy: -0.795 local terms energy: -227.104013 where: bonds (distance) C4'-P energy: -85.276 bonds (distance) P-C4' energy: -70.139 flat angles C4'-P-C4' energy: -50.478 flat angles P-C4'-P energy: -32.084 tors. eta vs tors. theta energy: 10.874 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: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1431.381619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.381619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.381619 (E_RNA) where: Base-Base interactions energy: -952.311 where: short stacking energy: -423.921 Base-Backbone interact. energy: -3.359 local terms energy: -475.710967 where: bonds (distance) C4'-P energy: -91.364 bonds (distance) P-C4' energy: -95.247 flat angles C4'-P-C4' energy: -100.727 flat angles P-C4'-P energy: -64.498 tors. eta vs tors. theta energy: -123.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1255.102050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.102050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.102050 (E_RNA) where: Base-Base interactions energy: -825.539 where: short stacking energy: -365.918 Base-Backbone interact. energy: -1.318 local terms energy: -428.245064 where: bonds (distance) C4'-P energy: -90.880 bonds (distance) P-C4' energy: -90.603 flat angles C4'-P-C4' energy: -95.030 flat angles P-C4'-P energy: -55.440 tors. eta vs tors. theta energy: -96.293 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: 9 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1046.070768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.070768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.070768 (E_RNA) where: Base-Base interactions energy: -634.973 where: short stacking energy: -308.210 Base-Backbone interact. energy: -0.207 local terms energy: -410.890502 where: bonds (distance) C4'-P energy: -80.441 bonds (distance) P-C4' energy: -90.788 flat angles C4'-P-C4' energy: -95.166 flat angles P-C4'-P energy: -56.974 tors. eta vs tors. theta energy: -87.521 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: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -990.433010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.433010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.433010 (E_RNA) where: Base-Base interactions energy: -602.959 where: short stacking energy: -277.590 Base-Backbone interact. energy: 0.081 local terms energy: -387.555328 where: bonds (distance) C4'-P energy: -85.708 bonds (distance) P-C4' energy: -97.592 flat angles C4'-P-C4' energy: -93.896 flat angles P-C4'-P energy: -56.298 tors. eta vs tors. theta energy: -54.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -956.399576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.399576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.399576 (E_RNA) where: Base-Base interactions energy: -580.432 where: short stacking energy: -289.164 Base-Backbone interact. energy: -1.428 local terms energy: -374.539713 where: bonds (distance) C4'-P energy: -82.051 bonds (distance) P-C4' energy: -93.848 flat angles C4'-P-C4' energy: -87.625 flat angles P-C4'-P energy: -45.614 tors. eta vs tors. theta energy: -65.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -920.065714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.065714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.065714 (E_RNA) where: Base-Base interactions energy: -554.930 where: short stacking energy: -248.936 Base-Backbone interact. energy: 1.224 local terms energy: -366.359829 where: bonds (distance) C4'-P energy: -77.837 bonds (distance) P-C4' energy: -86.857 flat angles C4'-P-C4' energy: -92.167 flat angles P-C4'-P energy: -62.753 tors. eta vs tors. theta energy: -46.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -712.701551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.701551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.701551 (E_RNA) where: Base-Base interactions energy: -416.301 where: short stacking energy: -212.521 Base-Backbone interact. energy: -0.593 local terms energy: -295.807938 where: bonds (distance) C4'-P energy: -80.515 bonds (distance) P-C4' energy: -78.741 flat angles C4'-P-C4' energy: -70.713 flat angles P-C4'-P energy: -38.718 tors. eta vs tors. theta energy: -27.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -446.834811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.834811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.834811 (E_RNA) where: Base-Base interactions energy: -196.657 where: short stacking energy: -148.810 Base-Backbone interact. energy: 6.336 local terms energy: -256.513803 where: bonds (distance) C4'-P energy: -72.906 bonds (distance) P-C4' energy: -82.109 flat angles C4'-P-C4' energy: -65.090 flat angles P-C4'-P energy: -37.724 tors. eta vs tors. theta energy: 1.315 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: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -373.493515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.493515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.493515 (E_RNA) where: Base-Base interactions energy: -106.038 where: short stacking energy: -93.395 Base-Backbone interact. energy: 3.404 local terms energy: -270.859995 where: bonds (distance) C4'-P energy: -82.072 bonds (distance) P-C4' energy: -73.624 flat angles C4'-P-C4' energy: -69.835 flat angles P-C4'-P energy: -53.274 tors. eta vs tors. theta energy: 7.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -377.857854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.857854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.857854 (E_RNA) where: Base-Base interactions energy: -140.886 where: short stacking energy: -95.685 Base-Backbone interact. energy: 1.963 local terms energy: -238.934079 where: bonds (distance) C4'-P energy: -73.830 bonds (distance) P-C4' energy: -74.986 flat angles C4'-P-C4' energy: -50.524 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: 2.228 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: 1, replica: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1456.068002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.068002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.068002 (E_RNA) where: Base-Base interactions energy: -976.163 where: short stacking energy: -421.873 Base-Backbone interact. energy: -1.239 local terms energy: -478.665293 where: bonds (distance) C4'-P energy: -93.706 bonds (distance) P-C4' energy: -99.472 flat angles C4'-P-C4' energy: -107.381 flat angles P-C4'-P energy: -59.570 tors. eta vs tors. theta energy: -118.536 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: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1251.863297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.863297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.863297 (E_RNA) where: Base-Base interactions energy: -848.096 where: short stacking energy: -367.148 Base-Backbone interact. energy: -2.543 local terms energy: -401.224640 where: bonds (distance) C4'-P energy: -84.974 bonds (distance) P-C4' energy: -86.713 flat angles C4'-P-C4' energy: -79.195 flat angles P-C4'-P energy: -54.774 tors. eta vs tors. theta energy: -95.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1042.472438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.472438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.472438 (E_RNA) where: Base-Base interactions energy: -637.791 where: short stacking energy: -316.826 Base-Backbone interact. energy: -2.451 local terms energy: -402.230544 where: bonds (distance) C4'-P energy: -88.463 bonds (distance) P-C4' energy: -93.926 flat angles C4'-P-C4' energy: -87.228 flat angles P-C4'-P energy: -57.665 tors. eta vs tors. theta energy: -74.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -945.293610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.293610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.293610 (E_RNA) where: Base-Base interactions energy: -567.767 where: short stacking energy: -260.370 Base-Backbone interact. energy: -2.097 local terms energy: -375.429683 where: bonds (distance) C4'-P energy: -91.532 bonds (distance) P-C4' energy: -84.218 flat angles C4'-P-C4' energy: -83.098 flat angles P-C4'-P energy: -59.795 tors. eta vs tors. theta energy: -56.786 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: 5, replica: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -949.786921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.786921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.786921 (E_RNA) where: Base-Base interactions energy: -563.809 where: short stacking energy: -268.964 Base-Backbone interact. energy: -1.691 local terms energy: -384.287545 where: bonds (distance) C4'-P energy: -93.861 bonds (distance) P-C4' energy: -97.862 flat angles C4'-P-C4' energy: -73.993 flat angles P-C4'-P energy: -56.539 tors. eta vs tors. theta energy: -62.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -916.365522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.365522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.365522 (E_RNA) where: Base-Base interactions energy: -560.148 where: short stacking energy: -263.581 Base-Backbone interact. energy: 1.433 local terms energy: -357.649944 where: bonds (distance) C4'-P energy: -83.009 bonds (distance) P-C4' energy: -76.893 flat angles C4'-P-C4' energy: -77.526 flat angles P-C4'-P energy: -58.266 tors. eta vs tors. theta energy: -61.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -674.009368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.009368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.009368 (E_RNA) where: Base-Base interactions energy: -363.728 where: short stacking energy: -182.697 Base-Backbone interact. energy: -2.810 local terms energy: -307.472080 where: bonds (distance) C4'-P energy: -84.776 bonds (distance) P-C4' energy: -89.024 flat angles C4'-P-C4' energy: -67.431 flat angles P-C4'-P energy: -39.885 tors. eta vs tors. theta energy: -26.356 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: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -438.461051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.461051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.461051 (E_RNA) where: Base-Base interactions energy: -177.755 where: short stacking energy: -112.391 Base-Backbone interact. energy: -1.583 local terms energy: -259.122481 where: bonds (distance) C4'-P energy: -74.721 bonds (distance) P-C4' energy: -86.778 flat angles C4'-P-C4' energy: -65.164 flat angles P-C4'-P energy: -44.782 tors. eta vs tors. theta energy: 12.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -383.350930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.350930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.350930 (E_RNA) where: Base-Base interactions energy: -138.854 where: short stacking energy: -102.248 Base-Backbone interact. energy: 4.347 local terms energy: -248.843657 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -91.244 flat angles C4'-P-C4' energy: -60.579 flat angles P-C4'-P energy: -36.507 tors. eta vs tors. theta energy: 21.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -359.973391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.973391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.973391 (E_RNA) where: Base-Base interactions energy: -135.201 where: short stacking energy: -116.071 Base-Backbone interact. energy: -1.045 local terms energy: -223.727424 where: bonds (distance) C4'-P energy: -59.152 bonds (distance) P-C4' energy: -65.058 flat angles C4'-P-C4' energy: -77.276 flat angles P-C4'-P energy: -42.673 tors. eta vs tors. theta energy: 20.431 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: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1449.837264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.837264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.837264 (E_RNA) where: Base-Base interactions energy: -988.401 where: short stacking energy: -405.705 Base-Backbone interact. energy: -2.900 local terms energy: -458.535861 where: bonds (distance) C4'-P energy: -87.174 bonds (distance) P-C4' energy: -94.479 flat angles C4'-P-C4' energy: -97.083 flat angles P-C4'-P energy: -64.805 tors. eta vs tors. theta energy: -114.996 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: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1235.656507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.656507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.656507 (E_RNA) where: Base-Base interactions energy: -819.929 where: short stacking energy: -366.627 Base-Backbone interact. energy: -2.467 local terms energy: -413.260156 where: bonds (distance) C4'-P energy: -80.283 bonds (distance) P-C4' energy: -70.854 flat angles C4'-P-C4' energy: -98.988 flat angles P-C4'-P energy: -62.414 tors. eta vs tors. theta energy: -100.721 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: 3, replica: 9 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1068.934633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.934633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.934633 (E_RNA) where: Base-Base interactions energy: -689.904 where: short stacking energy: -294.969 Base-Backbone interact. energy: -1.932 local terms energy: -377.097678 where: bonds (distance) C4'-P energy: -87.120 bonds (distance) P-C4' energy: -90.996 flat angles C4'-P-C4' energy: -75.744 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: -80.994 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: 4, replica: 8 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -981.506812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.506812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.506812 (E_RNA) where: Base-Base interactions energy: -576.001 where: short stacking energy: -299.709 Base-Backbone interact. energy: -1.104 local terms energy: -404.401795 where: bonds (distance) C4'-P energy: -84.649 bonds (distance) P-C4' energy: -100.011 flat angles C4'-P-C4' energy: -90.297 flat angles P-C4'-P energy: -57.508 tors. eta vs tors. theta energy: -71.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -871.219957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.219957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.219957 (E_RNA) where: Base-Base interactions energy: -479.829 where: short stacking energy: -257.426 Base-Backbone interact. energy: 0.413 local terms energy: -391.803422 where: bonds (distance) C4'-P energy: -82.994 bonds (distance) P-C4' energy: -91.687 flat angles C4'-P-C4' energy: -92.182 flat angles P-C4'-P energy: -61.849 tors. eta vs tors. theta energy: -63.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -900.685764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.685764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.685764 (E_RNA) where: Base-Base interactions energy: -564.228 where: short stacking energy: -257.419 Base-Backbone interact. energy: -0.816 local terms energy: -335.642061 where: bonds (distance) C4'-P energy: -80.803 bonds (distance) P-C4' energy: -71.993 flat angles C4'-P-C4' energy: -89.053 flat angles P-C4'-P energy: -51.593 tors. eta vs tors. theta energy: -42.199 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: 31 Temperature: 1.200000 Total energy: -777.699605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.699605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.699605 (E_RNA) where: Base-Base interactions energy: -419.576 where: short stacking energy: -212.160 Base-Backbone interact. energy: -2.353 local terms energy: -355.771384 where: bonds (distance) C4'-P energy: -87.249 bonds (distance) P-C4' energy: -81.235 flat angles C4'-P-C4' energy: -83.041 flat angles P-C4'-P energy: -60.973 tors. eta vs tors. theta energy: -43.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -431.628057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.628057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.628057 (E_RNA) where: Base-Base interactions energy: -157.271 where: short stacking energy: -123.309 Base-Backbone interact. energy: -3.442 local terms energy: -270.914449 where: bonds (distance) C4'-P energy: -71.473 bonds (distance) P-C4' energy: -82.050 flat angles C4'-P-C4' energy: -67.796 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: 0.921 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: 1 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -409.602531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.602531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.602531 (E_RNA) where: Base-Base interactions energy: -138.969 where: short stacking energy: -112.601 Base-Backbone interact. energy: 2.053 local terms energy: -272.685753 where: bonds (distance) C4'-P energy: -75.532 bonds (distance) P-C4' energy: -86.968 flat angles C4'-P-C4' energy: -75.585 flat angles P-C4'-P energy: -35.408 tors. eta vs tors. theta energy: 0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -345.080452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.080452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.080452 (E_RNA) where: Base-Base interactions energy: -129.878 where: short stacking energy: -108.878 Base-Backbone interact. energy: 5.832 local terms energy: -221.034345 where: bonds (distance) C4'-P energy: -80.443 bonds (distance) P-C4' energy: -78.804 flat angles C4'-P-C4' energy: -54.708 flat angles P-C4'-P energy: -29.176 tors. eta vs tors. theta energy: 22.096 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: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1459.844392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.844392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.844392 (E_RNA) where: Base-Base interactions energy: -979.189 where: short stacking energy: -438.827 Base-Backbone interact. energy: -2.343 local terms energy: -478.312714 where: bonds (distance) C4'-P energy: -86.027 bonds (distance) P-C4' energy: -100.863 flat angles C4'-P-C4' energy: -98.457 flat angles P-C4'-P energy: -65.654 tors. eta vs tors. theta energy: -127.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1242.930437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.930437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.930437 (E_RNA) where: Base-Base interactions energy: -796.535 where: short stacking energy: -331.872 Base-Backbone interact. energy: -0.848 local terms energy: -445.547571 where: bonds (distance) C4'-P energy: -101.189 bonds (distance) P-C4' energy: -84.912 flat angles C4'-P-C4' energy: -95.764 flat angles P-C4'-P energy: -71.174 tors. eta vs tors. theta energy: -92.508 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: 9 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1119.020403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.020403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.020403 (E_RNA) where: Base-Base interactions energy: -705.385 where: short stacking energy: -322.562 Base-Backbone interact. energy: -1.892 local terms energy: -411.743940 where: bonds (distance) C4'-P energy: -96.293 bonds (distance) P-C4' energy: -91.716 flat angles C4'-P-C4' energy: -85.906 flat angles P-C4'-P energy: -50.989 tors. eta vs tors. theta energy: -86.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1017.957425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.957425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.957425 (E_RNA) where: Base-Base interactions energy: -617.230 where: short stacking energy: -325.869 Base-Backbone interact. energy: -1.852 local terms energy: -398.875930 where: bonds (distance) C4'-P energy: -89.086 bonds (distance) P-C4' energy: -79.612 flat angles C4'-P-C4' energy: -93.065 flat angles P-C4'-P energy: -53.608 tors. eta vs tors. theta energy: -83.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -822.775068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.775068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.775068 (E_RNA) where: Base-Base interactions energy: -469.555 where: short stacking energy: -252.533 Base-Backbone interact. energy: -0.431 local terms energy: -352.788966 where: bonds (distance) C4'-P energy: -77.423 bonds (distance) P-C4' energy: -85.191 flat angles C4'-P-C4' energy: -82.024 flat angles P-C4'-P energy: -54.276 tors. eta vs tors. theta energy: -53.875 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: 32 Temperature: 1.150000 Total energy: -902.435126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.435126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.435126 (E_RNA) where: Base-Base interactions energy: -552.837 where: short stacking energy: -260.176 Base-Backbone interact. energy: -0.417 local terms energy: -349.180369 where: bonds (distance) C4'-P energy: -72.307 bonds (distance) P-C4' energy: -79.894 flat angles C4'-P-C4' energy: -84.693 flat angles P-C4'-P energy: -60.106 tors. eta vs tors. theta energy: -52.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -736.094377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.094377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.094377 (E_RNA) where: Base-Base interactions energy: -423.616 where: short stacking energy: -216.134 Base-Backbone interact. energy: 2.338 local terms energy: -314.816122 where: bonds (distance) C4'-P energy: -61.989 bonds (distance) P-C4' energy: -92.152 flat angles C4'-P-C4' energy: -73.405 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -31.580 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: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -481.685381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.685381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.685381 (E_RNA) where: Base-Base interactions energy: -218.687 where: short stacking energy: -137.658 Base-Backbone interact. energy: -1.454 local terms energy: -261.544544 where: bonds (distance) C4'-P energy: -82.772 bonds (distance) P-C4' energy: -69.429 flat angles C4'-P-C4' energy: -80.301 flat angles P-C4'-P energy: -33.395 tors. eta vs tors. theta energy: 4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -418.934123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.934123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.934123 (E_RNA) where: Base-Base interactions energy: -156.551 where: short stacking energy: -127.093 Base-Backbone interact. energy: -2.404 local terms energy: -259.979565 where: bonds (distance) C4'-P energy: -75.690 bonds (distance) P-C4' energy: -81.697 flat angles C4'-P-C4' energy: -53.252 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -355.297781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.297781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.297781 (E_RNA) where: Base-Base interactions energy: -128.313 where: short stacking energy: -88.941 Base-Backbone interact. energy: 0.751 local terms energy: -227.735123 where: bonds (distance) C4'-P energy: -71.664 bonds (distance) P-C4' energy: -77.420 flat angles C4'-P-C4' energy: -56.467 flat angles P-C4'-P energy: -38.021 tors. eta vs tors. theta energy: 15.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1461.989339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.989339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.989339 (E_RNA) where: Base-Base interactions energy: -993.520 where: short stacking energy: -420.432 Base-Backbone interact. energy: -1.509 local terms energy: -466.959566 where: bonds (distance) C4'-P energy: -95.116 bonds (distance) P-C4' energy: -86.455 flat angles C4'-P-C4' energy: -102.735 flat angles P-C4'-P energy: -62.788 tors. eta vs tors. theta energy: -119.867 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: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1251.976329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.976329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.976329 (E_RNA) where: Base-Base interactions energy: -826.141 where: short stacking energy: -350.483 Base-Backbone interact. energy: -2.689 local terms energy: -423.146585 where: bonds (distance) C4'-P energy: -93.722 bonds (distance) P-C4' energy: -90.202 flat angles C4'-P-C4' energy: -93.228 flat angles P-C4'-P energy: -54.522 tors. eta vs tors. theta energy: -91.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1089.726688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.726688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.726688 (E_RNA) where: Base-Base interactions energy: -670.325 where: short stacking energy: -324.068 Base-Backbone interact. energy: -3.260 local terms energy: -416.142220 where: bonds (distance) C4'-P energy: -90.752 bonds (distance) P-C4' energy: -95.954 flat angles C4'-P-C4' energy: -92.925 flat angles P-C4'-P energy: -53.560 tors. eta vs tors. theta energy: -82.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1015.292780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.292780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.292780 (E_RNA) where: Base-Base interactions energy: -619.613 where: short stacking energy: -313.712 Base-Backbone interact. energy: -4.968 local terms energy: -390.712081 where: bonds (distance) C4'-P energy: -87.994 bonds (distance) P-C4' energy: -80.721 flat angles C4'-P-C4' energy: -89.499 flat angles P-C4'-P energy: -56.621 tors. eta vs tors. theta energy: -75.877 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: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -868.310892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.310892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.310892 (E_RNA) where: Base-Base interactions energy: -551.572 where: short stacking energy: -269.733 Base-Backbone interact. energy: -2.557 local terms energy: -314.182014 where: bonds (distance) C4'-P energy: -76.537 bonds (distance) P-C4' energy: -74.495 flat angles C4'-P-C4' energy: -75.594 flat angles P-C4'-P energy: -36.833 tors. eta vs tors. theta energy: -50.723 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: 33 Temperature: 1.150000 Total energy: -940.656678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.656678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.656678 (E_RNA) where: Base-Base interactions energy: -602.577 where: short stacking energy: -282.688 Base-Backbone interact. energy: -1.797 local terms energy: -336.282984 where: bonds (distance) C4'-P energy: -74.760 bonds (distance) P-C4' energy: -78.073 flat angles C4'-P-C4' energy: -84.254 flat angles P-C4'-P energy: -53.168 tors. eta vs tors. theta energy: -46.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -807.617006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.617006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.617006 (E_RNA) where: Base-Base interactions energy: -459.908 where: short stacking energy: -208.992 Base-Backbone interact. energy: 0.295 local terms energy: -348.004613 where: bonds (distance) C4'-P energy: -91.059 bonds (distance) P-C4' energy: -76.809 flat angles C4'-P-C4' energy: -71.986 flat angles P-C4'-P energy: -49.767 tors. eta vs tors. theta energy: -58.383 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: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -475.671705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.671705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.671705 (E_RNA) where: Base-Base interactions energy: -225.770 where: short stacking energy: -149.401 Base-Backbone interact. energy: -0.763 local terms energy: -249.138990 where: bonds (distance) C4'-P energy: -74.617 bonds (distance) P-C4' energy: -76.601 flat angles C4'-P-C4' energy: -58.219 flat angles P-C4'-P energy: -37.108 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -368.304623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.304623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.304623 (E_RNA) where: Base-Base interactions energy: -160.802 where: short stacking energy: -123.851 Base-Backbone interact. energy: 0.143 local terms energy: -207.645443 where: bonds (distance) C4'-P energy: -70.543 bonds (distance) P-C4' energy: -81.917 flat angles C4'-P-C4' energy: -43.612 flat angles P-C4'-P energy: -25.654 tors. eta vs tors. theta energy: 14.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -377.058357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.058357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.058357 (E_RNA) where: Base-Base interactions energy: -134.671 where: short stacking energy: -121.923 Base-Backbone interact. energy: 3.780 local terms energy: -246.167288 where: bonds (distance) C4'-P energy: -81.513 bonds (distance) P-C4' energy: -75.144 flat angles C4'-P-C4' energy: -63.943 flat angles P-C4'-P energy: -31.283 tors. eta vs tors. theta energy: 5.716 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: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1467.084608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.084608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.084608 (E_RNA) where: Base-Base interactions energy: -1014.309 where: short stacking energy: -432.169 Base-Backbone interact. energy: -0.798 local terms energy: -451.977684 where: bonds (distance) C4'-P energy: -94.381 bonds (distance) P-C4' energy: -82.591 flat angles C4'-P-C4' energy: -90.192 flat angles P-C4'-P energy: -63.910 tors. eta vs tors. theta energy: -120.903 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: 2, replica: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1266.639356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.639356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.639356 (E_RNA) where: Base-Base interactions energy: -822.783 where: short stacking energy: -350.725 Base-Backbone interact. energy: -2.412 local terms energy: -441.444517 where: bonds (distance) C4'-P energy: -91.624 bonds (distance) P-C4' energy: -89.131 flat angles C4'-P-C4' energy: -92.488 flat angles P-C4'-P energy: -70.098 tors. eta vs tors. theta energy: -98.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1110.972630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.972630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.972630 (E_RNA) where: Base-Base interactions energy: -701.559 where: short stacking energy: -317.646 Base-Backbone interact. energy: -2.065 local terms energy: -407.348077 where: bonds (distance) C4'-P energy: -86.182 bonds (distance) P-C4' energy: -93.820 flat angles C4'-P-C4' energy: -96.508 flat angles P-C4'-P energy: -51.880 tors. eta vs tors. theta energy: -78.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -999.320019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.320019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.320019 (E_RNA) where: Base-Base interactions energy: -602.343 where: short stacking energy: -301.246 Base-Backbone interact. energy: -0.252 local terms energy: -396.725141 where: bonds (distance) C4'-P energy: -81.175 bonds (distance) P-C4' energy: -77.926 flat angles C4'-P-C4' energy: -97.880 flat angles P-C4'-P energy: -52.662 tors. eta vs tors. theta energy: -87.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1035.659169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.659169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.659169 (E_RNA) where: Base-Base interactions energy: -661.946 where: short stacking energy: -290.967 Base-Backbone interact. energy: 6.186 local terms energy: -379.898501 where: bonds (distance) C4'-P energy: -75.922 bonds (distance) P-C4' energy: -83.351 flat angles C4'-P-C4' energy: -90.445 flat angles P-C4'-P energy: -60.316 tors. eta vs tors. theta energy: -69.865 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: 3 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -842.584293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.584293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.584293 (E_RNA) where: Base-Base interactions energy: -496.364 where: short stacking energy: -255.696 Base-Backbone interact. energy: -1.432 local terms energy: -344.788039 where: bonds (distance) C4'-P energy: -76.406 bonds (distance) P-C4' energy: -72.351 flat angles C4'-P-C4' energy: -88.053 flat angles P-C4'-P energy: -51.389 tors. eta vs tors. theta energy: -56.589 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: 34 Temperature: 1.200000 Total energy: -790.167338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.167338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.167338 (E_RNA) where: Base-Base interactions energy: -476.290 where: short stacking energy: -230.469 Base-Backbone interact. energy: -0.356 local terms energy: -313.521590 where: bonds (distance) C4'-P energy: -73.481 bonds (distance) P-C4' energy: -83.055 flat angles C4'-P-C4' energy: -74.013 flat angles P-C4'-P energy: -47.413 tors. eta vs tors. theta energy: -35.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -421.931875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.931875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.931875 (E_RNA) where: Base-Base interactions energy: -165.179 where: short stacking energy: -98.713 Base-Backbone interact. energy: -2.795 local terms energy: -253.957912 where: bonds (distance) C4'-P energy: -86.816 bonds (distance) P-C4' energy: -74.801 flat angles C4'-P-C4' energy: -63.022 flat angles P-C4'-P energy: -45.020 tors. eta vs tors. theta energy: 15.702 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: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -396.212680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.212680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.212680 (E_RNA) where: Base-Base interactions energy: -138.163 where: short stacking energy: -126.739 Base-Backbone interact. energy: -0.004 local terms energy: -258.045814 where: bonds (distance) C4'-P energy: -77.986 bonds (distance) P-C4' energy: -77.936 flat angles C4'-P-C4' energy: -75.750 flat angles P-C4'-P energy: -35.976 tors. eta vs tors. theta energy: 9.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -351.805212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.805212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.805212 (E_RNA) where: Base-Base interactions energy: -107.668 where: short stacking energy: -80.376 Base-Backbone interact. energy: -2.164 local terms energy: -241.973208 where: bonds (distance) C4'-P energy: -83.589 bonds (distance) P-C4' energy: -77.427 flat angles C4'-P-C4' energy: -66.920 flat angles P-C4'-P energy: -33.151 tors. eta vs tors. theta energy: 19.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1461.359196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.359196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.359196 (E_RNA) where: Base-Base interactions energy: -968.527 where: short stacking energy: -417.654 Base-Backbone interact. energy: -1.886 local terms energy: -490.946125 where: bonds (distance) C4'-P energy: -91.384 bonds (distance) P-C4' energy: -97.416 flat angles C4'-P-C4' energy: -101.861 flat angles P-C4'-P energy: -74.133 tors. eta vs tors. theta energy: -126.152 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: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1297.401408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.401408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.401408 (E_RNA) where: Base-Base interactions energy: -843.557 where: short stacking energy: -359.220 Base-Backbone interact. energy: -3.625 local terms energy: -450.219383 where: bonds (distance) C4'-P energy: -88.114 bonds (distance) P-C4' energy: -98.273 flat angles C4'-P-C4' energy: -96.841 flat angles P-C4'-P energy: -61.057 tors. eta vs tors. theta energy: -105.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1067.857326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.857326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.857326 (E_RNA) where: Base-Base interactions energy: -703.452 where: short stacking energy: -329.026 Base-Backbone interact. energy: -1.468 local terms energy: -362.937247 where: bonds (distance) C4'-P energy: -60.303 bonds (distance) P-C4' energy: -79.690 flat angles C4'-P-C4' energy: -92.744 flat angles P-C4'-P energy: -47.183 tors. eta vs tors. theta energy: -83.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1040.460664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.460664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.460664 (E_RNA) where: Base-Base interactions energy: -656.984 where: short stacking energy: -354.777 Base-Backbone interact. energy: -0.573 local terms energy: -382.903585 where: bonds (distance) C4'-P energy: -82.090 bonds (distance) P-C4' energy: -86.130 flat angles C4'-P-C4' energy: -77.969 flat angles P-C4'-P energy: -57.830 tors. eta vs tors. theta energy: -78.885 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: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1023.203491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.203491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.203491 (E_RNA) where: Base-Base interactions energy: -648.532 where: short stacking energy: -282.452 Base-Backbone interact. energy: -1.788 local terms energy: -372.884046 where: bonds (distance) C4'-P energy: -85.477 bonds (distance) P-C4' energy: -81.495 flat angles C4'-P-C4' energy: -86.797 flat angles P-C4'-P energy: -52.759 tors. eta vs tors. theta energy: -66.356 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: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -809.501094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.501094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.501094 (E_RNA) where: Base-Base interactions energy: -471.680 where: short stacking energy: -242.648 Base-Backbone interact. energy: -1.161 local terms energy: -336.660213 where: bonds (distance) C4'-P energy: -69.288 bonds (distance) P-C4' energy: -93.386 flat angles C4'-P-C4' energy: -83.376 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -49.979 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: 35 Temperature: 1.200000 Total energy: -785.401576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.401576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.401576 (E_RNA) where: Base-Base interactions energy: -462.888 where: short stacking energy: -217.113 Base-Backbone interact. energy: -0.180 local terms energy: -322.333503 where: bonds (distance) C4'-P energy: -73.597 bonds (distance) P-C4' energy: -81.544 flat angles C4'-P-C4' energy: -82.407 flat angles P-C4'-P energy: -35.959 tors. eta vs tors. theta energy: -48.827 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: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -433.538300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.538300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.538300 (E_RNA) where: Base-Base interactions energy: -150.554 where: short stacking energy: -130.949 Base-Backbone interact. energy: -1.627 local terms energy: -281.357337 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -86.670 flat angles C4'-P-C4' energy: -73.771 flat angles P-C4'-P energy: -45.690 tors. eta vs tors. theta energy: -10.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -404.749316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.749316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.749316 (E_RNA) where: Base-Base interactions energy: -155.272 where: short stacking energy: -122.867 Base-Backbone interact. energy: 1.849 local terms energy: -251.326552 where: bonds (distance) C4'-P energy: -65.204 bonds (distance) P-C4' energy: -78.916 flat angles C4'-P-C4' energy: -61.312 flat angles P-C4'-P energy: -53.740 tors. eta vs tors. theta energy: 7.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -363.993769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.993769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.993769 (E_RNA) where: Base-Base interactions energy: -119.779 where: short stacking energy: -113.189 Base-Backbone interact. energy: -0.348 local terms energy: -243.866509 where: bonds (distance) C4'-P energy: -70.453 bonds (distance) P-C4' energy: -76.496 flat angles C4'-P-C4' energy: -74.947 flat angles P-C4'-P energy: -40.992 tors. eta vs tors. theta energy: 19.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1468.738564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.738564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.738564 (E_RNA) where: Base-Base interactions energy: -992.602 where: short stacking energy: -429.972 Base-Backbone interact. energy: 3.462 local terms energy: -479.598158 where: bonds (distance) C4'-P energy: -94.615 bonds (distance) P-C4' energy: -100.878 flat angles C4'-P-C4' energy: -102.435 flat angles P-C4'-P energy: -50.880 tors. eta vs tors. theta energy: -130.791 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: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1294.962486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.962486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.962486 (E_RNA) where: Base-Base interactions energy: -866.771 where: short stacking energy: -375.865 Base-Backbone interact. energy: -2.485 local terms energy: -425.706576 where: bonds (distance) C4'-P energy: -97.943 bonds (distance) P-C4' energy: -87.507 flat angles C4'-P-C4' energy: -89.071 flat angles P-C4'-P energy: -55.798 tors. eta vs tors. theta energy: -95.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1124.361480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.361480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.361480 (E_RNA) where: Base-Base interactions energy: -735.864 where: short stacking energy: -343.580 Base-Backbone interact. energy: -0.949 local terms energy: -387.547966 where: bonds (distance) C4'-P energy: -69.247 bonds (distance) P-C4' energy: -80.253 flat angles C4'-P-C4' energy: -92.192 flat angles P-C4'-P energy: -58.936 tors. eta vs tors. theta energy: -86.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1042.375721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.375721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.375721 (E_RNA) where: Base-Base interactions energy: -652.770 where: short stacking energy: -271.038 Base-Backbone interact. energy: -3.120 local terms energy: -386.485573 where: bonds (distance) C4'-P energy: -87.194 bonds (distance) P-C4' energy: -86.909 flat angles C4'-P-C4' energy: -90.410 flat angles P-C4'-P energy: -57.922 tors. eta vs tors. theta energy: -64.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1026.084073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.084073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.084073 (E_RNA) where: Base-Base interactions energy: -641.149 where: short stacking energy: -292.559 Base-Backbone interact. energy: -0.156 local terms energy: -384.778339 where: bonds (distance) C4'-P energy: -78.290 bonds (distance) P-C4' energy: -79.080 flat angles C4'-P-C4' energy: -88.853 flat angles P-C4'-P energy: -66.723 tors. eta vs tors. theta energy: -71.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -754.008685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.008685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.008685 (E_RNA) where: Base-Base interactions energy: -418.576 where: short stacking energy: -205.511 Base-Backbone interact. energy: 0.627 local terms energy: -336.059511 where: bonds (distance) C4'-P energy: -81.219 bonds (distance) P-C4' energy: -81.256 flat angles C4'-P-C4' energy: -78.571 flat angles P-C4'-P energy: -54.995 tors. eta vs tors. theta energy: -40.019 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: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -757.683034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.683034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.683034 (E_RNA) where: Base-Base interactions energy: -433.140 where: short stacking energy: -215.375 Base-Backbone interact. energy: -1.570 local terms energy: -322.973024 where: bonds (distance) C4'-P energy: -79.133 bonds (distance) P-C4' energy: -76.580 flat angles C4'-P-C4' energy: -79.844 flat angles P-C4'-P energy: -42.791 tors. eta vs tors. theta energy: -44.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -448.653344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.653344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.653344 (E_RNA) where: Base-Base interactions energy: -169.094 where: short stacking energy: -118.782 Base-Backbone interact. energy: -1.047 local terms energy: -278.512466 where: bonds (distance) C4'-P energy: -74.256 bonds (distance) P-C4' energy: -83.961 flat angles C4'-P-C4' energy: -74.981 flat angles P-C4'-P energy: -49.652 tors. eta vs tors. theta energy: 4.337 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: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -397.569079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.569079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.569079 (E_RNA) where: Base-Base interactions energy: -144.445 where: short stacking energy: -109.519 Base-Backbone interact. energy: -1.842 local terms energy: -251.282747 where: bonds (distance) C4'-P energy: -74.406 bonds (distance) P-C4' energy: -73.991 flat angles C4'-P-C4' energy: -66.384 flat angles P-C4'-P energy: -32.193 tors. eta vs tors. theta energy: -4.309 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: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -345.933689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.933689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.933689 (E_RNA) where: Base-Base interactions energy: -125.070 where: short stacking energy: -83.603 Base-Backbone interact. energy: -3.192 local terms energy: -217.671452 where: bonds (distance) C4'-P energy: -71.396 bonds (distance) P-C4' energy: -79.397 flat angles C4'-P-C4' energy: -67.165 flat angles P-C4'-P energy: -25.997 tors. eta vs tors. theta energy: 26.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1463.844694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.844694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.844694 (E_RNA) where: Base-Base interactions energy: -1007.898 where: short stacking energy: -403.625 Base-Backbone interact. energy: -2.977 local terms energy: -452.969078 where: bonds (distance) C4'-P energy: -81.904 bonds (distance) P-C4' energy: -83.816 flat angles C4'-P-C4' energy: -107.606 flat angles P-C4'-P energy: -65.306 tors. eta vs tors. theta energy: -114.337 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: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1296.877426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.877426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.877426 (E_RNA) where: Base-Base interactions energy: -861.517 where: short stacking energy: -375.177 Base-Backbone interact. energy: -1.714 local terms energy: -433.647187 where: bonds (distance) C4'-P energy: -92.256 bonds (distance) P-C4' energy: -89.138 flat angles C4'-P-C4' energy: -94.851 flat angles P-C4'-P energy: -59.171 tors. eta vs tors. theta energy: -98.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1113.791804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.791804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.791804 (E_RNA) where: Base-Base interactions energy: -715.383 where: short stacking energy: -358.803 Base-Backbone interact. energy: -1.565 local terms energy: -396.844280 where: bonds (distance) C4'-P energy: -84.063 bonds (distance) P-C4' energy: -88.604 flat angles C4'-P-C4' energy: -90.042 flat angles P-C4'-P energy: -47.474 tors. eta vs tors. theta energy: -86.662 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: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1106.825482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.825482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.825482 (E_RNA) where: Base-Base interactions energy: -698.005 where: short stacking energy: -302.195 Base-Backbone interact. energy: -0.444 local terms energy: -408.377277 where: bonds (distance) C4'-P energy: -80.470 bonds (distance) P-C4' energy: -85.911 flat angles C4'-P-C4' energy: -94.370 flat angles P-C4'-P energy: -65.364 tors. eta vs tors. theta energy: -82.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -922.905412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.905412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.905412 (E_RNA) where: Base-Base interactions energy: -545.147 where: short stacking energy: -279.661 Base-Backbone interact. energy: 0.657 local terms energy: -378.415475 where: bonds (distance) C4'-P energy: -81.085 bonds (distance) P-C4' energy: -86.752 flat angles C4'-P-C4' energy: -88.367 flat angles P-C4'-P energy: -52.372 tors. eta vs tors. theta energy: -69.840 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: 37 Temperature: 1.150000 Total energy: -793.541201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.541201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.541201 (E_RNA) where: Base-Base interactions energy: -451.641 where: short stacking energy: -231.432 Base-Backbone interact. energy: 0.418 local terms energy: -342.318568 where: bonds (distance) C4'-P energy: -75.380 bonds (distance) P-C4' energy: -85.185 flat angles C4'-P-C4' energy: -87.324 flat angles P-C4'-P energy: -59.127 tors. eta vs tors. theta energy: -35.303 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: 3 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -717.469871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.469871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.469871 (E_RNA) where: Base-Base interactions energy: -390.945 where: short stacking energy: -192.205 Base-Backbone interact. energy: -2.538 local terms energy: -323.987309 where: bonds (distance) C4'-P energy: -73.864 bonds (distance) P-C4' energy: -82.846 flat angles C4'-P-C4' energy: -77.528 flat angles P-C4'-P energy: -57.322 tors. eta vs tors. theta energy: -32.427 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: 1 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -436.393241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.393241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.393241 (E_RNA) where: Base-Base interactions energy: -152.328 where: short stacking energy: -124.536 Base-Backbone interact. energy: -2.680 local terms energy: -281.385918 where: bonds (distance) C4'-P energy: -70.326 bonds (distance) P-C4' energy: -79.271 flat angles C4'-P-C4' energy: -81.132 flat angles P-C4'-P energy: -65.231 tors. eta vs tors. theta energy: 14.574 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: 9, replica: 10 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -439.301248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.301248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.301248 (E_RNA) where: Base-Base interactions energy: -159.621 where: short stacking energy: -121.917 Base-Backbone interact. energy: -0.531 local terms energy: -279.149153 where: bonds (distance) C4'-P energy: -72.848 bonds (distance) P-C4' energy: -88.131 flat angles C4'-P-C4' energy: -84.454 flat angles P-C4'-P energy: -40.866 tors. eta vs tors. theta energy: 7.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -374.146058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.146058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.146058 (E_RNA) where: Base-Base interactions energy: -127.990 where: short stacking energy: -110.334 Base-Backbone interact. energy: 2.948 local terms energy: -249.103907 where: bonds (distance) C4'-P energy: -83.618 bonds (distance) P-C4' energy: -76.343 flat angles C4'-P-C4' energy: -61.491 flat angles P-C4'-P energy: -26.894 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1468.816232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.816232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.816232 (E_RNA) where: Base-Base interactions energy: -996.280 where: short stacking energy: -432.000 Base-Backbone interact. energy: -3.412 local terms energy: -469.123954 where: bonds (distance) C4'-P energy: -82.902 bonds (distance) P-C4' energy: -93.219 flat angles C4'-P-C4' energy: -105.947 flat angles P-C4'-P energy: -63.770 tors. eta vs tors. theta energy: -123.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1291.720215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.720215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.720215 (E_RNA) where: Base-Base interactions energy: -852.334 where: short stacking energy: -380.784 Base-Backbone interact. energy: -2.581 local terms energy: -436.805075 where: bonds (distance) C4'-P energy: -81.602 bonds (distance) P-C4' energy: -85.495 flat angles C4'-P-C4' energy: -95.978 flat angles P-C4'-P energy: -71.722 tors. eta vs tors. theta energy: -102.008 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: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1146.219601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.219601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.219601 (E_RNA) where: Base-Base interactions energy: -728.149 where: short stacking energy: -338.601 Base-Backbone interact. energy: -0.169 local terms energy: -417.901494 where: bonds (distance) C4'-P energy: -87.244 bonds (distance) P-C4' energy: -89.493 flat angles C4'-P-C4' energy: -90.754 flat angles P-C4'-P energy: -58.107 tors. eta vs tors. theta energy: -92.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1080.640882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.640882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.640882 (E_RNA) where: Base-Base interactions energy: -697.926 where: short stacking energy: -316.679 Base-Backbone interact. energy: -1.583 local terms energy: -381.131334 where: bonds (distance) C4'-P energy: -81.548 bonds (distance) P-C4' energy: -87.242 flat angles C4'-P-C4' energy: -79.610 flat angles P-C4'-P energy: -50.688 tors. eta vs tors. theta energy: -82.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -895.670787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.670787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.670787 (E_RNA) where: Base-Base interactions energy: -542.175 where: short stacking energy: -270.689 Base-Backbone interact. energy: 0.767 local terms energy: -354.263027 where: bonds (distance) C4'-P energy: -85.781 bonds (distance) P-C4' energy: -73.344 flat angles C4'-P-C4' energy: -86.739 flat angles P-C4'-P energy: -46.259 tors. eta vs tors. theta energy: -62.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -828.852716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.852716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.852716 (E_RNA) where: Base-Base interactions energy: -491.210 where: short stacking energy: -231.879 Base-Backbone interact. energy: 0.360 local terms energy: -338.002760 where: bonds (distance) C4'-P energy: -74.732 bonds (distance) P-C4' energy: -85.825 flat angles C4'-P-C4' energy: -79.580 flat angles P-C4'-P energy: -44.457 tors. eta vs tors. theta energy: -53.410 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: 3 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -719.667772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.667772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.667772 (E_RNA) where: Base-Base interactions energy: -417.537 where: short stacking energy: -218.694 Base-Backbone interact. energy: 0.612 local terms energy: -302.743169 where: bonds (distance) C4'-P energy: -53.745 bonds (distance) P-C4' energy: -81.360 flat angles C4'-P-C4' energy: -76.829 flat angles P-C4'-P energy: -45.936 tors. eta vs tors. theta energy: -44.874 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: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -444.643992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.643992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.643992 (E_RNA) where: Base-Base interactions energy: -166.746 where: short stacking energy: -104.885 Base-Backbone interact. energy: -4.863 local terms energy: -273.034437 where: bonds (distance) C4'-P energy: -79.917 bonds (distance) P-C4' energy: -79.847 flat angles C4'-P-C4' energy: -83.974 flat angles P-C4'-P energy: -39.340 tors. eta vs tors. theta energy: 10.043 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: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -376.106617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.106617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.106617 (E_RNA) where: Base-Base interactions energy: -137.242 where: short stacking energy: -110.744 Base-Backbone interact. energy: -0.653 local terms energy: -238.211302 where: bonds (distance) C4'-P energy: -70.281 bonds (distance) P-C4' energy: -66.163 flat angles C4'-P-C4' energy: -71.178 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: 15.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -359.255747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.255747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.255747 (E_RNA) where: Base-Base interactions energy: -127.045 where: short stacking energy: -114.866 Base-Backbone interact. energy: -0.320 local terms energy: -231.891444 where: bonds (distance) C4'-P energy: -70.209 bonds (distance) P-C4' energy: -89.277 flat angles C4'-P-C4' energy: -48.893 flat angles P-C4'-P energy: -29.155 tors. eta vs tors. theta energy: 5.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1458.952463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.952463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.952463 (E_RNA) where: Base-Base interactions energy: -990.689 where: short stacking energy: -420.511 Base-Backbone interact. energy: -2.719 local terms energy: -465.544518 where: bonds (distance) C4'-P energy: -79.163 bonds (distance) P-C4' energy: -92.918 flat angles C4'-P-C4' energy: -99.271 flat angles P-C4'-P energy: -68.483 tors. eta vs tors. theta energy: -125.710 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: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1309.808065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.808065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.808065 (E_RNA) where: Base-Base interactions energy: -880.670 where: short stacking energy: -381.921 Base-Backbone interact. energy: -3.112 local terms energy: -426.026099 where: bonds (distance) C4'-P energy: -75.277 bonds (distance) P-C4' energy: -86.532 flat angles C4'-P-C4' energy: -98.224 flat angles P-C4'-P energy: -62.222 tors. eta vs tors. theta energy: -103.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1170.812138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.812138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.812138 (E_RNA) where: Base-Base interactions energy: -770.360 where: short stacking energy: -341.662 Base-Backbone interact. energy: -1.354 local terms energy: -399.098031 where: bonds (distance) C4'-P energy: -90.924 bonds (distance) P-C4' energy: -67.952 flat angles C4'-P-C4' energy: -92.357 flat angles P-C4'-P energy: -62.166 tors. eta vs tors. theta energy: -85.699 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: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1044.454020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.454020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.454020 (E_RNA) where: Base-Base interactions energy: -655.680 where: short stacking energy: -323.991 Base-Backbone interact. energy: 1.870 local terms energy: -390.643745 where: bonds (distance) C4'-P energy: -81.120 bonds (distance) P-C4' energy: -87.362 flat angles C4'-P-C4' energy: -86.078 flat angles P-C4'-P energy: -55.195 tors. eta vs tors. theta energy: -80.888 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: 9 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -949.454932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.454932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.454932 (E_RNA) where: Base-Base interactions energy: -598.548 where: short stacking energy: -295.267 Base-Backbone interact. energy: 0.996 local terms energy: -351.902981 where: bonds (distance) C4'-P energy: -67.004 bonds (distance) P-C4' energy: -84.567 flat angles C4'-P-C4' energy: -87.797 flat angles P-C4'-P energy: -47.264 tors. eta vs tors. theta energy: -65.272 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: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -840.444247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.444247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.444247 (E_RNA) where: Base-Base interactions energy: -492.872 where: short stacking energy: -237.781 Base-Backbone interact. energy: -2.516 local terms energy: -345.056244 where: bonds (distance) C4'-P energy: -62.929 bonds (distance) P-C4' energy: -81.519 flat angles C4'-P-C4' energy: -85.002 flat angles P-C4'-P energy: -63.581 tors. eta vs tors. theta energy: -52.026 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: 3 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -714.499872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.499872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.499872 (E_RNA) where: Base-Base interactions energy: -406.072 where: short stacking energy: -216.492 Base-Backbone interact. energy: 1.302 local terms energy: -309.730308 where: bonds (distance) C4'-P energy: -80.728 bonds (distance) P-C4' energy: -74.428 flat angles C4'-P-C4' energy: -80.515 flat angles P-C4'-P energy: -33.414 tors. eta vs tors. theta energy: -40.644 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: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -473.865400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.865400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.865400 (E_RNA) where: Base-Base interactions energy: -222.720 where: short stacking energy: -133.397 Base-Backbone interact. energy: -0.369 local terms energy: -250.777064 where: bonds (distance) C4'-P energy: -65.611 bonds (distance) P-C4' energy: -99.016 flat angles C4'-P-C4' energy: -59.803 flat angles P-C4'-P energy: -39.613 tors. eta vs tors. theta energy: 13.266 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: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -454.077710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.077710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.077710 (E_RNA) where: Base-Base interactions energy: -180.866 where: short stacking energy: -128.444 Base-Backbone interact. energy: -1.667 local terms energy: -271.544279 where: bonds (distance) C4'-P energy: -73.975 bonds (distance) P-C4' energy: -83.525 flat angles C4'-P-C4' energy: -67.973 flat angles P-C4'-P energy: -43.032 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -350.375761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.375761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.375761 (E_RNA) where: Base-Base interactions energy: -103.060 where: short stacking energy: -89.823 Base-Backbone interact. energy: 2.593 local terms energy: -249.908458 where: bonds (distance) C4'-P energy: -80.491 bonds (distance) P-C4' energy: -76.899 flat angles C4'-P-C4' energy: -64.549 flat angles P-C4'-P energy: -45.984 tors. eta vs tors. theta energy: 18.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1463.809207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.809207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.809207 (E_RNA) where: Base-Base interactions energy: -989.766 where: short stacking energy: -442.952 Base-Backbone interact. energy: -2.391 local terms energy: -471.651456 where: bonds (distance) C4'-P energy: -83.500 bonds (distance) P-C4' energy: -96.790 flat angles C4'-P-C4' energy: -101.620 flat angles P-C4'-P energy: -68.676 tors. eta vs tors. theta energy: -121.065 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: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1284.389966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.389966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.389966 (E_RNA) where: Base-Base interactions energy: -836.727 where: short stacking energy: -372.659 Base-Backbone interact. energy: -3.067 local terms energy: -444.596047 where: bonds (distance) C4'-P energy: -73.635 bonds (distance) P-C4' energy: -103.738 flat angles C4'-P-C4' energy: -104.551 flat angles P-C4'-P energy: -65.748 tors. eta vs tors. theta energy: -96.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1211.104814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.104814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.104814 (E_RNA) where: Base-Base interactions energy: -786.804 where: short stacking energy: -337.672 Base-Backbone interact. energy: -3.495 local terms energy: -420.805330 where: bonds (distance) C4'-P energy: -85.519 bonds (distance) P-C4' energy: -87.968 flat angles C4'-P-C4' energy: -92.694 flat angles P-C4'-P energy: -59.032 tors. eta vs tors. theta energy: -95.593 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: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1001.881046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.881046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.881046 (E_RNA) where: Base-Base interactions energy: -622.708 where: short stacking energy: -277.255 Base-Backbone interact. energy: -1.617 local terms energy: -377.556249 where: bonds (distance) C4'-P energy: -81.070 bonds (distance) P-C4' energy: -90.840 flat angles C4'-P-C4' energy: -79.115 flat angles P-C4'-P energy: -64.121 tors. eta vs tors. theta energy: -62.411 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: 9 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -900.729554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.729554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.729554 (E_RNA) where: Base-Base interactions energy: -531.695 where: short stacking energy: -243.707 Base-Backbone interact. energy: -1.755 local terms energy: -367.279447 where: bonds (distance) C4'-P energy: -75.183 bonds (distance) P-C4' energy: -90.395 flat angles C4'-P-C4' energy: -84.354 flat angles P-C4'-P energy: -55.610 tors. eta vs tors. theta energy: -61.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -888.077489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.077489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.077489 (E_RNA) where: Base-Base interactions energy: -577.542 where: short stacking energy: -253.305 Base-Backbone interact. energy: 0.007 local terms energy: -310.542174 where: bonds (distance) C4'-P energy: -69.534 bonds (distance) P-C4' energy: -71.586 flat angles C4'-P-C4' energy: -74.541 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: -47.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -799.103596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.103596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.103596 (E_RNA) where: Base-Base interactions energy: -451.153 where: short stacking energy: -233.836 Base-Backbone interact. energy: -0.987 local terms energy: -346.962963 where: bonds (distance) C4'-P energy: -84.247 bonds (distance) P-C4' energy: -93.654 flat angles C4'-P-C4' energy: -74.913 flat angles P-C4'-P energy: -41.231 tors. eta vs tors. theta energy: -52.918 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: 40 Temperature: 1.250000 Total energy: -420.880863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.880863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.880863 (E_RNA) where: Base-Base interactions energy: -159.582 where: short stacking energy: -96.832 Base-Backbone interact. energy: -2.225 local terms energy: -259.073812 where: bonds (distance) C4'-P energy: -76.827 bonds (distance) P-C4' energy: -90.732 flat angles C4'-P-C4' energy: -69.070 flat angles P-C4'-P energy: -35.317 tors. eta vs tors. theta energy: 12.871 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: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -402.011237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.011237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.011237 (E_RNA) where: Base-Base interactions energy: -141.934 where: short stacking energy: -98.046 Base-Backbone interact. energy: -0.682 local terms energy: -259.394460 where: bonds (distance) C4'-P energy: -78.867 bonds (distance) P-C4' energy: -73.676 flat angles C4'-P-C4' energy: -55.202 flat angles P-C4'-P energy: -50.676 tors. eta vs tors. theta energy: -0.974 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: 10, replica: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -387.441650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.441650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.441650 (E_RNA) where: Base-Base interactions energy: -151.641 where: short stacking energy: -130.815 Base-Backbone interact. energy: 3.309 local terms energy: -239.110175 where: bonds (distance) C4'-P energy: -52.451 bonds (distance) P-C4' energy: -92.688 flat angles C4'-P-C4' energy: -57.545 flat angles P-C4'-P energy: -40.988 tors. eta vs tors. theta energy: 4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1469.349612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.349612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.349612 (E_RNA) where: Base-Base interactions energy: -996.818 where: short stacking energy: -424.944 Base-Backbone interact. energy: -2.240 local terms energy: -470.291137 where: bonds (distance) C4'-P energy: -91.599 bonds (distance) P-C4' energy: -86.898 flat angles C4'-P-C4' energy: -92.930 flat angles P-C4'-P energy: -73.055 tors. eta vs tors. theta energy: -125.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1279.278834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.278834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.278834 (E_RNA) where: Base-Base interactions energy: -842.974 where: short stacking energy: -365.397 Base-Backbone interact. energy: -2.770 local terms energy: -433.534943 where: bonds (distance) C4'-P energy: -90.420 bonds (distance) P-C4' energy: -93.604 flat angles C4'-P-C4' energy: -100.206 flat angles P-C4'-P energy: -57.192 tors. eta vs tors. theta energy: -92.113 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: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1235.237237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.237237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.237237 (E_RNA) where: Base-Base interactions energy: -812.011 where: short stacking energy: -343.048 Base-Backbone interact. energy: -2.014 local terms energy: -421.212286 where: bonds (distance) C4'-P energy: -82.871 bonds (distance) P-C4' energy: -90.324 flat angles C4'-P-C4' energy: -87.795 flat angles P-C4'-P energy: -65.491 tors. eta vs tors. theta energy: -94.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1036.077491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.077491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.077491 (E_RNA) where: Base-Base interactions energy: -647.773 where: short stacking energy: -324.093 Base-Backbone interact. energy: 1.855 local terms energy: -390.159554 where: bonds (distance) C4'-P energy: -78.001 bonds (distance) P-C4' energy: -89.495 flat angles C4'-P-C4' energy: -93.506 flat angles P-C4'-P energy: -56.447 tors. eta vs tors. theta energy: -72.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -975.078789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.078789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.078789 (E_RNA) where: Base-Base interactions energy: -593.409 where: short stacking energy: -289.752 Base-Backbone interact. energy: -0.197 local terms energy: -381.471915 where: bonds (distance) C4'-P energy: -77.821 bonds (distance) P-C4' energy: -88.464 flat angles C4'-P-C4' energy: -85.373 flat angles P-C4'-P energy: -63.120 tors. eta vs tors. theta energy: -66.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -892.583022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.583022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.583022 (E_RNA) where: Base-Base interactions energy: -542.919 where: short stacking energy: -240.146 Base-Backbone interact. energy: 0.306 local terms energy: -349.970093 where: bonds (distance) C4'-P energy: -80.947 bonds (distance) P-C4' energy: -78.243 flat angles C4'-P-C4' energy: -81.084 flat angles P-C4'-P energy: -46.426 tors. eta vs tors. theta energy: -63.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -784.260843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.260843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.260843 (E_RNA) where: Base-Base interactions energy: -463.695 where: short stacking energy: -215.924 Base-Backbone interact. energy: 2.697 local terms energy: -323.263719 where: bonds (distance) C4'-P energy: -90.488 bonds (distance) P-C4' energy: -88.331 flat angles C4'-P-C4' energy: -81.948 flat angles P-C4'-P energy: -39.735 tors. eta vs tors. theta energy: -22.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -448.797738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.797738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.797738 (E_RNA) where: Base-Base interactions energy: -173.320 where: short stacking energy: -136.591 Base-Backbone interact. energy: -3.004 local terms energy: -272.473850 where: bonds (distance) C4'-P energy: -82.365 bonds (distance) P-C4' energy: -74.012 flat angles C4'-P-C4' energy: -70.609 flat angles P-C4'-P energy: -36.671 tors. eta vs tors. theta energy: -8.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -388.776841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.776841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.776841 (E_RNA) where: Base-Base interactions energy: -143.834 where: short stacking energy: -106.328 Base-Backbone interact. energy: 0.464 local terms energy: -245.407442 where: bonds (distance) C4'-P energy: -75.424 bonds (distance) P-C4' energy: -69.864 flat angles C4'-P-C4' energy: -65.531 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: 11.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -369.515542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.515542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.515542 (E_RNA) where: Base-Base interactions energy: -137.991 where: short stacking energy: -101.312 Base-Backbone interact. energy: 0.461 local terms energy: -231.985791 where: bonds (distance) C4'-P energy: -67.380 bonds (distance) P-C4' energy: -80.971 flat angles C4'-P-C4' energy: -59.333 flat angles P-C4'-P energy: -37.965 tors. eta vs tors. theta energy: 13.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1482.329169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.329169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.329169 (E_RNA) where: Base-Base interactions energy: -1028.009 where: short stacking energy: -455.962 Base-Backbone interact. energy: -2.750 local terms energy: -451.570088 where: bonds (distance) C4'-P energy: -70.476 bonds (distance) P-C4' energy: -95.424 flat angles C4'-P-C4' energy: -101.827 flat angles P-C4'-P energy: -64.432 tors. eta vs tors. theta energy: -119.412 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: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1314.183587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.183587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.183587 (E_RNA) where: Base-Base interactions energy: -882.055 where: short stacking energy: -379.224 Base-Backbone interact. energy: 0.767 local terms energy: -432.896161 where: bonds (distance) C4'-P energy: -83.063 bonds (distance) P-C4' energy: -81.160 flat angles C4'-P-C4' energy: -98.882 flat angles P-C4'-P energy: -58.494 tors. eta vs tors. theta energy: -111.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1253.057311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.057311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.057311 (E_RNA) where: Base-Base interactions energy: -815.422 where: short stacking energy: -333.324 Base-Backbone interact. energy: -0.120 local terms energy: -437.514706 where: bonds (distance) C4'-P energy: -84.158 bonds (distance) P-C4' energy: -96.055 flat angles C4'-P-C4' energy: -99.013 flat angles P-C4'-P energy: -68.651 tors. eta vs tors. theta energy: -89.639 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: 4, replica: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1064.147542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.147542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.147542 (E_RNA) where: Base-Base interactions energy: -661.568 where: short stacking energy: -298.139 Base-Backbone interact. energy: -1.765 local terms energy: -400.814611 where: bonds (distance) C4'-P energy: -93.934 bonds (distance) P-C4' energy: -89.022 flat angles C4'-P-C4' energy: -83.294 flat angles P-C4'-P energy: -60.524 tors. eta vs tors. theta energy: -74.040 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: 5, replica: 9 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -924.127309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.127309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.127309 (E_RNA) where: Base-Base interactions energy: -574.497 where: short stacking energy: -271.083 Base-Backbone interact. energy: -1.143 local terms energy: -348.487571 where: bonds (distance) C4'-P energy: -76.871 bonds (distance) P-C4' energy: -85.771 flat angles C4'-P-C4' energy: -69.834 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: -62.039 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: 2 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -867.959266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.959266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.959266 (E_RNA) where: Base-Base interactions energy: -547.380 where: short stacking energy: -248.638 Base-Backbone interact. energy: -0.195 local terms energy: -320.384596 where: bonds (distance) C4'-P energy: -73.115 bonds (distance) P-C4' energy: -75.764 flat angles C4'-P-C4' energy: -81.007 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -38.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -785.122720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.122720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.122720 (E_RNA) where: Base-Base interactions energy: -460.841 where: short stacking energy: -217.321 Base-Backbone interact. energy: 1.786 local terms energy: -326.067901 where: bonds (distance) C4'-P energy: -69.565 bonds (distance) P-C4' energy: -87.737 flat angles C4'-P-C4' energy: -68.437 flat angles P-C4'-P energy: -62.078 tors. eta vs tors. theta energy: -38.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -495.086706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.086706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.086706 (E_RNA) where: Base-Base interactions energy: -200.063 where: short stacking energy: -109.569 Base-Backbone interact. energy: -1.151 local terms energy: -293.872400 where: bonds (distance) C4'-P energy: -81.666 bonds (distance) P-C4' energy: -95.252 flat angles C4'-P-C4' energy: -70.530 flat angles P-C4'-P energy: -43.611 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -460.194097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.194097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.194097 (E_RNA) where: Base-Base interactions energy: -211.866 where: short stacking energy: -110.389 Base-Backbone interact. energy: -0.489 local terms energy: -247.838933 where: bonds (distance) C4'-P energy: -79.449 bonds (distance) P-C4' energy: -86.281 flat angles C4'-P-C4' energy: -55.345 flat angles P-C4'-P energy: -33.152 tors. eta vs tors. theta energy: 6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -383.348603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.348603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.348603 (E_RNA) where: Base-Base interactions energy: -125.806 where: short stacking energy: -94.121 Base-Backbone interact. energy: -1.887 local terms energy: -255.655518 where: bonds (distance) C4'-P energy: -71.000 bonds (distance) P-C4' energy: -79.384 flat angles C4'-P-C4' energy: -70.056 flat angles P-C4'-P energy: -35.333 tors. eta vs tors. theta energy: 0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1469.841851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.841851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.841851 (E_RNA) where: Base-Base interactions energy: -1008.596 where: short stacking energy: -419.905 Base-Backbone interact. energy: -1.570 local terms energy: -459.676612 where: bonds (distance) C4'-P energy: -85.619 bonds (distance) P-C4' energy: -90.758 flat angles C4'-P-C4' energy: -101.418 flat angles P-C4'-P energy: -54.103 tors. eta vs tors. theta energy: -127.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1327.384619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.384619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.384619 (E_RNA) where: Base-Base interactions energy: -891.710 where: short stacking energy: -373.408 Base-Backbone interact. energy: -0.872 local terms energy: -434.803005 where: bonds (distance) C4'-P energy: -91.239 bonds (distance) P-C4' energy: -86.885 flat angles C4'-P-C4' energy: -89.608 flat angles P-C4'-P energy: -60.648 tors. eta vs tors. theta energy: -106.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1271.255849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.255849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.255849 (E_RNA) where: Base-Base interactions energy: -842.048 where: short stacking energy: -358.877 Base-Backbone interact. energy: 1.878 local terms energy: -431.086114 where: bonds (distance) C4'-P energy: -87.276 bonds (distance) P-C4' energy: -78.548 flat angles C4'-P-C4' energy: -102.600 flat angles P-C4'-P energy: -65.464 tors. eta vs tors. theta energy: -97.198 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: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1111.551354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.551354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.551354 (E_RNA) where: Base-Base interactions energy: -717.173 where: short stacking energy: -308.374 Base-Backbone interact. energy: -0.176 local terms energy: -394.202262 where: bonds (distance) C4'-P energy: -77.895 bonds (distance) P-C4' energy: -80.565 flat angles C4'-P-C4' energy: -98.872 flat angles P-C4'-P energy: -58.324 tors. eta vs tors. theta energy: -78.546 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: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -931.262732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.262732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.262732 (E_RNA) where: Base-Base interactions energy: -569.518 where: short stacking energy: -269.353 Base-Backbone interact. energy: -1.323 local terms energy: -360.421776 where: bonds (distance) C4'-P energy: -81.803 bonds (distance) P-C4' energy: -77.469 flat angles C4'-P-C4' energy: -87.788 flat angles P-C4'-P energy: -49.771 tors. eta vs tors. theta energy: -63.590 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: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -862.346724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.346724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.346724 (E_RNA) where: Base-Base interactions energy: -534.970 where: short stacking energy: -248.806 Base-Backbone interact. energy: -2.112 local terms energy: -325.264859 where: bonds (distance) C4'-P energy: -64.755 bonds (distance) P-C4' energy: -90.406 flat angles C4'-P-C4' energy: -79.490 flat angles P-C4'-P energy: -42.846 tors. eta vs tors. theta energy: -47.768 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: 3 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -702.082480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.082480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.082480 (E_RNA) where: Base-Base interactions energy: -413.397 where: short stacking energy: -191.290 Base-Backbone interact. energy: 4.233 local terms energy: -292.918573 where: bonds (distance) C4'-P energy: -72.508 bonds (distance) P-C4' energy: -75.834 flat angles C4'-P-C4' energy: -82.381 flat angles P-C4'-P energy: -35.817 tors. eta vs tors. theta energy: -26.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -568.114364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.114364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.114364 (E_RNA) where: Base-Base interactions energy: -281.670 where: short stacking energy: -167.194 Base-Backbone interact. energy: 3.752 local terms energy: -290.196302 where: bonds (distance) C4'-P energy: -63.797 bonds (distance) P-C4' energy: -75.521 flat angles C4'-P-C4' energy: -77.303 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: -22.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -505.128832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.128832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.128832 (E_RNA) where: Base-Base interactions energy: -210.150 where: short stacking energy: -137.877 Base-Backbone interact. energy: -1.815 local terms energy: -293.163397 where: bonds (distance) C4'-P energy: -79.615 bonds (distance) P-C4' energy: -76.321 flat angles C4'-P-C4' energy: -85.674 flat angles P-C4'-P energy: -41.105 tors. eta vs tors. theta energy: -10.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -378.158486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.158486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.158486 (E_RNA) where: Base-Base interactions energy: -128.420 where: short stacking energy: -112.309 Base-Backbone interact. energy: -0.420 local terms energy: -249.318846 where: bonds (distance) C4'-P energy: -72.586 bonds (distance) P-C4' energy: -80.289 flat angles C4'-P-C4' energy: -55.476 flat angles P-C4'-P energy: -39.318 tors. eta vs tors. theta energy: -1.650 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: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1495.509527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.509527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.509527 (E_RNA) where: Base-Base interactions energy: -1008.039 where: short stacking energy: -442.964 Base-Backbone interact. energy: 1.010 local terms energy: -488.480508 where: bonds (distance) C4'-P energy: -92.283 bonds (distance) P-C4' energy: -100.187 flat angles C4'-P-C4' energy: -110.074 flat angles P-C4'-P energy: -63.740 tors. eta vs tors. theta energy: -122.197 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: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1303.125381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.125381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.125381 (E_RNA) where: Base-Base interactions energy: -844.040 where: short stacking energy: -371.627 Base-Backbone interact. energy: -2.867 local terms energy: -456.218433 where: bonds (distance) C4'-P energy: -94.231 bonds (distance) P-C4' energy: -88.937 flat angles C4'-P-C4' energy: -97.544 flat angles P-C4'-P energy: -70.884 tors. eta vs tors. theta energy: -104.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1260.237918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.237918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.237918 (E_RNA) where: Base-Base interactions energy: -840.132 where: short stacking energy: -350.784 Base-Backbone interact. energy: -0.932 local terms energy: -419.174287 where: bonds (distance) C4'-P energy: -87.807 bonds (distance) P-C4' energy: -86.338 flat angles C4'-P-C4' energy: -93.350 flat angles P-C4'-P energy: -53.363 tors. eta vs tors. theta energy: -98.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1114.576184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.576184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.576184 (E_RNA) where: Base-Base interactions energy: -709.716 where: short stacking energy: -323.719 Base-Backbone interact. energy: -0.413 local terms energy: -404.447436 where: bonds (distance) C4'-P energy: -88.800 bonds (distance) P-C4' energy: -96.041 flat angles C4'-P-C4' energy: -91.931 flat angles P-C4'-P energy: -48.053 tors. eta vs tors. theta energy: -79.622 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: 9 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -932.422634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.422634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.422634 (E_RNA) where: Base-Base interactions energy: -576.604 where: short stacking energy: -270.809 Base-Backbone interact. energy: -0.859 local terms energy: -354.959485 where: bonds (distance) C4'-P energy: -67.591 bonds (distance) P-C4' energy: -79.465 flat angles C4'-P-C4' energy: -87.212 flat angles P-C4'-P energy: -47.666 tors. eta vs tors. theta energy: -73.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -945.338092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.338092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.338092 (E_RNA) where: Base-Base interactions energy: -609.612 where: short stacking energy: -280.585 Base-Backbone interact. energy: -0.759 local terms energy: -334.966456 where: bonds (distance) C4'-P energy: -82.045 bonds (distance) P-C4' energy: -73.250 flat angles C4'-P-C4' energy: -71.048 flat angles P-C4'-P energy: -45.281 tors. eta vs tors. theta energy: -63.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -698.221528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.221528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.221528 (E_RNA) where: Base-Base interactions energy: -373.811 where: short stacking energy: -204.896 Base-Backbone interact. energy: 0.680 local terms energy: -325.090380 where: bonds (distance) C4'-P energy: -70.459 bonds (distance) P-C4' energy: -95.284 flat angles C4'-P-C4' energy: -80.712 flat angles P-C4'-P energy: -59.632 tors. eta vs tors. theta energy: -19.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -550.031180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.031180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.031180 (E_RNA) where: Base-Base interactions energy: -275.211 where: short stacking energy: -135.707 Base-Backbone interact. energy: -0.620 local terms energy: -274.201008 where: bonds (distance) C4'-P energy: -70.583 bonds (distance) P-C4' energy: -82.073 flat angles C4'-P-C4' energy: -61.857 flat angles P-C4'-P energy: -46.399 tors. eta vs tors. theta energy: -13.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -471.210842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.210842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.210842 (E_RNA) where: Base-Base interactions energy: -217.313 where: short stacking energy: -149.144 Base-Backbone interact. energy: 0.835 local terms energy: -254.733036 where: bonds (distance) C4'-P energy: -65.712 bonds (distance) P-C4' energy: -71.379 flat angles C4'-P-C4' energy: -68.996 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: -6.680 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: 10, replica: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -369.554115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.554115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.554115 (E_RNA) where: Base-Base interactions energy: -132.362 where: short stacking energy: -107.678 Base-Backbone interact. energy: -2.624 local terms energy: -234.567866 where: bonds (distance) C4'-P energy: -80.229 bonds (distance) P-C4' energy: -85.102 flat angles C4'-P-C4' energy: -46.837 flat angles P-C4'-P energy: -31.070 tors. eta vs tors. theta energy: 8.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1498.388653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.388653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.388653 (E_RNA) where: Base-Base interactions energy: -988.828 where: short stacking energy: -423.432 Base-Backbone interact. energy: -2.100 local terms energy: -507.460271 where: bonds (distance) C4'-P energy: -99.455 bonds (distance) P-C4' energy: -99.459 flat angles C4'-P-C4' energy: -110.393 flat angles P-C4'-P energy: -71.160 tors. eta vs tors. theta energy: -126.993 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: 6 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1308.929669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.929669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.929669 (E_RNA) where: Base-Base interactions energy: -886.242 where: short stacking energy: -359.132 Base-Backbone interact. energy: 0.201 local terms energy: -422.888707 where: bonds (distance) C4'-P energy: -90.220 bonds (distance) P-C4' energy: -83.025 flat angles C4'-P-C4' energy: -92.282 flat angles P-C4'-P energy: -59.456 tors. eta vs tors. theta energy: -97.906 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: 4 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1257.180193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.180193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.180193 (E_RNA) where: Base-Base interactions energy: -836.843 where: short stacking energy: -361.120 Base-Backbone interact. energy: -0.559 local terms energy: -419.778555 where: bonds (distance) C4'-P energy: -85.334 bonds (distance) P-C4' energy: -91.779 flat angles C4'-P-C4' energy: -101.729 flat angles P-C4'-P energy: -55.049 tors. eta vs tors. theta energy: -85.887 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: 8 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1101.157144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.157144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.157144 (E_RNA) where: Base-Base interactions energy: -680.023 where: short stacking energy: -325.847 Base-Backbone interact. energy: -2.627 local terms energy: -418.506489 where: bonds (distance) C4'-P energy: -76.738 bonds (distance) P-C4' energy: -84.418 flat angles C4'-P-C4' energy: -104.061 flat angles P-C4'-P energy: -67.294 tors. eta vs tors. theta energy: -85.995 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: 9 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -931.850118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.850118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.850118 (E_RNA) where: Base-Base interactions energy: -570.365 where: short stacking energy: -255.408 Base-Backbone interact. energy: -1.393 local terms energy: -360.092117 where: bonds (distance) C4'-P energy: -65.541 bonds (distance) P-C4' energy: -90.348 flat angles C4'-P-C4' energy: -101.285 flat angles P-C4'-P energy: -48.117 tors. eta vs tors. theta energy: -54.801 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: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1028.961305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.961305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.961305 (E_RNA) where: Base-Base interactions energy: -632.781 where: short stacking energy: -283.719 Base-Backbone interact. energy: -0.027 local terms energy: -396.153264 where: bonds (distance) C4'-P energy: -88.119 bonds (distance) P-C4' energy: -78.532 flat angles C4'-P-C4' energy: -99.422 flat angles P-C4'-P energy: -51.970 tors. eta vs tors. theta energy: -78.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -663.095989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.095989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.095989 (E_RNA) where: Base-Base interactions energy: -362.972 where: short stacking energy: -194.224 Base-Backbone interact. energy: -3.666 local terms energy: -296.457765 where: bonds (distance) C4'-P energy: -66.407 bonds (distance) P-C4' energy: -84.316 flat angles C4'-P-C4' energy: -71.592 flat angles P-C4'-P energy: -48.221 tors. eta vs tors. theta energy: -25.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -482.091752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.091752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.091752 (E_RNA) where: Base-Base interactions energy: -222.373 where: short stacking energy: -146.501 Base-Backbone interact. energy: 0.167 local terms energy: -259.885134 where: bonds (distance) C4'-P energy: -67.462 bonds (distance) P-C4' energy: -91.544 flat angles C4'-P-C4' energy: -64.859 flat angles P-C4'-P energy: -32.207 tors. eta vs tors. theta energy: -3.812 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: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -413.281341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.281341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.281341 (E_RNA) where: Base-Base interactions energy: -166.454 where: short stacking energy: -117.413 Base-Backbone interact. energy: -0.858 local terms energy: -245.969450 where: bonds (distance) C4'-P energy: -94.115 bonds (distance) P-C4' energy: -70.981 flat angles C4'-P-C4' energy: -59.915 flat angles P-C4'-P energy: -37.576 tors. eta vs tors. theta energy: 16.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -359.809734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.809734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.809734 (E_RNA) where: Base-Base interactions energy: -111.537 where: short stacking energy: -92.605 Base-Backbone interact. energy: -0.165 local terms energy: -248.108253 where: bonds (distance) C4'-P energy: -70.539 bonds (distance) P-C4' energy: -82.492 flat angles C4'-P-C4' energy: -74.756 flat angles P-C4'-P energy: -33.808 tors. eta vs tors. theta energy: 13.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1467.170506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.170506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.170506 (E_RNA) where: Base-Base interactions energy: -997.985 where: short stacking energy: -435.421 Base-Backbone interact. energy: -1.601 local terms energy: -467.584445 where: bonds (distance) C4'-P energy: -88.840 bonds (distance) P-C4' energy: -85.684 flat angles C4'-P-C4' energy: -97.866 flat angles P-C4'-P energy: -69.947 tors. eta vs tors. theta energy: -125.248 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: 6 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1316.715537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.715537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.715537 (E_RNA) where: Base-Base interactions energy: -851.309 where: short stacking energy: -372.415 Base-Backbone interact. energy: -3.891 local terms energy: -461.515618 where: bonds (distance) C4'-P energy: -96.044 bonds (distance) P-C4' energy: -101.249 flat angles C4'-P-C4' energy: -88.969 flat angles P-C4'-P energy: -68.514 tors. eta vs tors. theta energy: -106.740 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: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1274.445566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.445566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.445566 (E_RNA) where: Base-Base interactions energy: -867.767 where: short stacking energy: -351.999 Base-Backbone interact. energy: -2.112 local terms energy: -404.566930 where: bonds (distance) C4'-P energy: -81.435 bonds (distance) P-C4' energy: -90.750 flat angles C4'-P-C4' energy: -91.049 flat angles P-C4'-P energy: -57.465 tors. eta vs tors. theta energy: -83.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1023.851130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.851130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.851130 (E_RNA) where: Base-Base interactions energy: -625.540 where: short stacking energy: -328.954 Base-Backbone interact. energy: -0.549 local terms energy: -397.761695 where: bonds (distance) C4'-P energy: -85.897 bonds (distance) P-C4' energy: -83.123 flat angles C4'-P-C4' energy: -92.392 flat angles P-C4'-P energy: -58.321 tors. eta vs tors. theta energy: -78.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1083.169393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.169393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.169393 (E_RNA) where: Base-Base interactions energy: -710.602 where: short stacking energy: -300.887 Base-Backbone interact. energy: 0.496 local terms energy: -373.063056 where: bonds (distance) C4'-P energy: -88.433 bonds (distance) P-C4' energy: -76.165 flat angles C4'-P-C4' energy: -83.594 flat angles P-C4'-P energy: -59.770 tors. eta vs tors. theta energy: -65.102 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: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -878.769292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.769292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.769292 (E_RNA) where: Base-Base interactions energy: -537.393 where: short stacking energy: -254.310 Base-Backbone interact. energy: -0.362 local terms energy: -341.014502 where: bonds (distance) C4'-P energy: -69.893 bonds (distance) P-C4' energy: -78.357 flat angles C4'-P-C4' energy: -81.651 flat angles P-C4'-P energy: -55.610 tors. eta vs tors. theta energy: -55.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -729.601669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.601669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.601669 (E_RNA) where: Base-Base interactions energy: -389.349 where: short stacking energy: -209.438 Base-Backbone interact. energy: -1.838 local terms energy: -338.414489 where: bonds (distance) C4'-P energy: -71.697 bonds (distance) P-C4' energy: -87.904 flat angles C4'-P-C4' energy: -85.216 flat angles P-C4'-P energy: -41.806 tors. eta vs tors. theta energy: -51.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -457.877269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.877269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.877269 (E_RNA) where: Base-Base interactions energy: -186.731 where: short stacking energy: -108.338 Base-Backbone interact. energy: -0.075 local terms energy: -271.072209 where: bonds (distance) C4'-P energy: -87.440 bonds (distance) P-C4' energy: -87.984 flat angles C4'-P-C4' energy: -56.693 flat angles P-C4'-P energy: -45.953 tors. eta vs tors. theta energy: 6.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -387.836748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.836748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.836748 (E_RNA) where: Base-Base interactions energy: -152.305 where: short stacking energy: -115.432 Base-Backbone interact. energy: 0.170 local terms energy: -235.702014 where: bonds (distance) C4'-P energy: -81.127 bonds (distance) P-C4' energy: -63.783 flat angles C4'-P-C4' energy: -61.436 flat angles P-C4'-P energy: -52.173 tors. eta vs tors. theta energy: 22.817 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: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -370.308723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.308723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.308723 (E_RNA) where: Base-Base interactions energy: -153.615 where: short stacking energy: -129.334 Base-Backbone interact. energy: 2.715 local terms energy: -219.407808 where: bonds (distance) C4'-P energy: -65.764 bonds (distance) P-C4' energy: -63.902 flat angles C4'-P-C4' energy: -56.960 flat angles P-C4'-P energy: -34.516 tors. eta vs tors. theta energy: 1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1486.784125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.784125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.784125 (E_RNA) where: Base-Base interactions energy: -1008.150 where: short stacking energy: -424.787 Base-Backbone interact. energy: -3.598 local terms energy: -475.036080 where: bonds (distance) C4'-P energy: -80.487 bonds (distance) P-C4' energy: -92.698 flat angles C4'-P-C4' energy: -105.118 flat angles P-C4'-P energy: -66.782 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: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1319.954104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.954104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.954104 (E_RNA) where: Base-Base interactions energy: -891.436 where: short stacking energy: -390.294 Base-Backbone interact. energy: -2.855 local terms energy: -425.663162 where: bonds (distance) C4'-P energy: -79.500 bonds (distance) P-C4' energy: -90.456 flat angles C4'-P-C4' energy: -95.061 flat angles P-C4'-P energy: -62.348 tors. eta vs tors. theta energy: -98.298 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: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1317.871470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.871470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.871470 (E_RNA) where: Base-Base interactions energy: -884.475 where: short stacking energy: -372.103 Base-Backbone interact. energy: -1.069 local terms energy: -432.327551 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -97.274 flat angles C4'-P-C4' energy: -86.884 flat angles P-C4'-P energy: -67.569 tors. eta vs tors. theta energy: -95.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1164.868136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.868136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.868136 (E_RNA) where: Base-Base interactions energy: -767.210 where: short stacking energy: -313.134 Base-Backbone interact. energy: -1.670 local terms energy: -395.988354 where: bonds (distance) C4'-P energy: -79.814 bonds (distance) P-C4' energy: -87.969 flat angles C4'-P-C4' energy: -89.238 flat angles P-C4'-P energy: -47.102 tors. eta vs tors. theta energy: -91.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -978.999121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.999121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.999121 (E_RNA) where: Base-Base interactions energy: -590.120 where: short stacking energy: -285.732 Base-Backbone interact. energy: -1.673 local terms energy: -387.206238 where: bonds (distance) C4'-P energy: -79.480 bonds (distance) P-C4' energy: -90.332 flat angles C4'-P-C4' energy: -87.499 flat angles P-C4'-P energy: -64.773 tors. eta vs tors. theta energy: -65.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -825.001958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.001958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.001958 (E_RNA) where: Base-Base interactions energy: -497.118 where: short stacking energy: -217.430 Base-Backbone interact. energy: -1.014 local terms energy: -326.870121 where: bonds (distance) C4'-P energy: -75.101 bonds (distance) P-C4' energy: -82.753 flat angles C4'-P-C4' energy: -69.075 flat angles P-C4'-P energy: -47.888 tors. eta vs tors. theta energy: -52.054 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: 47 Temperature: 1.200000 Total energy: -719.179842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.179842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.179842 (E_RNA) where: Base-Base interactions energy: -394.582 where: short stacking energy: -187.277 Base-Backbone interact. energy: 3.541 local terms energy: -328.138916 where: bonds (distance) C4'-P energy: -73.681 bonds (distance) P-C4' energy: -89.637 flat angles C4'-P-C4' energy: -78.419 flat angles P-C4'-P energy: -61.000 tors. eta vs tors. theta energy: -25.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -464.288103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.288103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.288103 (E_RNA) where: Base-Base interactions energy: -194.194 where: short stacking energy: -124.304 Base-Backbone interact. energy: -0.664 local terms energy: -269.429981 where: bonds (distance) C4'-P energy: -81.266 bonds (distance) P-C4' energy: -83.699 flat angles C4'-P-C4' energy: -63.646 flat angles P-C4'-P energy: -45.750 tors. eta vs tors. theta energy: 4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -374.291060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.291060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.291060 (E_RNA) where: Base-Base interactions energy: -134.110 where: short stacking energy: -123.217 Base-Backbone interact. energy: -0.859 local terms energy: -239.321962 where: bonds (distance) C4'-P energy: -74.712 bonds (distance) P-C4' energy: -85.612 flat angles C4'-P-C4' energy: -39.020 flat angles P-C4'-P energy: -40.281 tors. eta vs tors. theta energy: 0.302 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: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -381.014757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.014757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.014757 (E_RNA) where: Base-Base interactions energy: -125.886 where: short stacking energy: -106.425 Base-Backbone interact. energy: -1.247 local terms energy: -253.881629 where: bonds (distance) C4'-P energy: -74.592 bonds (distance) P-C4' energy: -77.546 flat angles C4'-P-C4' energy: -70.224 flat angles P-C4'-P energy: -43.312 tors. eta vs tors. theta energy: 11.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1511.373377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.373377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.373377 (E_RNA) where: Base-Base interactions energy: -1013.416 where: short stacking energy: -440.161 Base-Backbone interact. energy: -4.718 local terms energy: -493.239390 where: bonds (distance) C4'-P energy: -85.620 bonds (distance) P-C4' energy: -92.095 flat angles C4'-P-C4' energy: -108.436 flat angles P-C4'-P energy: -73.285 tors. eta vs tors. theta energy: -133.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1349.283320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.283320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.283320 (E_RNA) where: Base-Base interactions energy: -906.785 where: short stacking energy: -378.448 Base-Backbone interact. energy: -2.615 local terms energy: -439.882652 where: bonds (distance) C4'-P energy: -94.155 bonds (distance) P-C4' energy: -79.079 flat angles C4'-P-C4' energy: -101.250 flat angles P-C4'-P energy: -59.615 tors. eta vs tors. theta energy: -105.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1317.188552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.188552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.188552 (E_RNA) where: Base-Base interactions energy: -912.788 where: short stacking energy: -363.245 Base-Backbone interact. energy: -3.963 local terms energy: -400.437335 where: bonds (distance) C4'-P energy: -87.386 bonds (distance) P-C4' energy: -83.698 flat angles C4'-P-C4' energy: -79.712 flat angles P-C4'-P energy: -54.974 tors. eta vs tors. theta energy: -94.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1150.394571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.394571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.394571 (E_RNA) where: Base-Base interactions energy: -752.258 where: short stacking energy: -340.040 Base-Backbone interact. energy: -3.212 local terms energy: -394.924362 where: bonds (distance) C4'-P energy: -89.363 bonds (distance) P-C4' energy: -78.155 flat angles C4'-P-C4' energy: -86.912 flat angles P-C4'-P energy: -60.595 tors. eta vs tors. theta energy: -79.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -993.904608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.904608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.904608 (E_RNA) where: Base-Base interactions energy: -595.182 where: short stacking energy: -288.173 Base-Backbone interact. energy: -2.427 local terms energy: -396.295656 where: bonds (distance) C4'-P energy: -91.652 bonds (distance) P-C4' energy: -91.177 flat angles C4'-P-C4' energy: -90.961 flat angles P-C4'-P energy: -52.379 tors. eta vs tors. theta energy: -70.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -727.747229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.747229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.747229 (E_RNA) where: Base-Base interactions energy: -402.099 where: short stacking energy: -206.604 Base-Backbone interact. energy: -2.309 local terms energy: -323.338282 where: bonds (distance) C4'-P energy: -69.698 bonds (distance) P-C4' energy: -87.223 flat angles C4'-P-C4' energy: -81.646 flat angles P-C4'-P energy: -38.960 tors. eta vs tors. theta energy: -45.811 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: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -697.064311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.064311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.064311 (E_RNA) where: Base-Base interactions energy: -388.848 where: short stacking energy: -190.638 Base-Backbone interact. energy: -2.836 local terms energy: -305.380055 where: bonds (distance) C4'-P energy: -73.055 bonds (distance) P-C4' energy: -81.591 flat angles C4'-P-C4' energy: -86.703 flat angles P-C4'-P energy: -48.450 tors. eta vs tors. theta energy: -15.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -504.602404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.602404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.602404 (E_RNA) where: Base-Base interactions energy: -245.404 where: short stacking energy: -134.610 Base-Backbone interact. energy: -1.231 local terms energy: -257.967743 where: bonds (distance) C4'-P energy: -78.852 bonds (distance) P-C4' energy: -76.277 flat angles C4'-P-C4' energy: -69.694 flat angles P-C4'-P energy: -39.254 tors. eta vs tors. theta energy: 6.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -493.200442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.200442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.200442 (E_RNA) where: Base-Base interactions energy: -231.126 where: short stacking energy: -141.060 Base-Backbone interact. energy: -0.005 local terms energy: -262.069457 where: bonds (distance) C4'-P energy: -84.885 bonds (distance) P-C4' energy: -81.958 flat angles C4'-P-C4' energy: -64.548 flat angles P-C4'-P energy: -32.307 tors. eta vs tors. theta energy: 1.629 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: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -365.996198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.996198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.996198 (E_RNA) where: Base-Base interactions energy: -137.920 where: short stacking energy: -113.499 Base-Backbone interact. energy: -0.139 local terms energy: -227.936979 where: bonds (distance) C4'-P energy: -63.265 bonds (distance) P-C4' energy: -76.573 flat angles C4'-P-C4' energy: -73.872 flat angles P-C4'-P energy: -31.117 tors. eta vs tors. theta energy: 16.890 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: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1516.531924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.531924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.531924 (E_RNA) where: Base-Base interactions energy: -1020.330 where: short stacking energy: -432.310 Base-Backbone interact. energy: -3.160 local terms energy: -493.042141 where: bonds (distance) C4'-P energy: -89.453 bonds (distance) P-C4' energy: -96.277 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -72.642 tors. eta vs tors. theta energy: -131.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1332.938955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.938955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.938955 (E_RNA) where: Base-Base interactions energy: -904.248 where: short stacking energy: -376.314 Base-Backbone interact. energy: -4.982 local terms energy: -423.708774 where: bonds (distance) C4'-P energy: -77.550 bonds (distance) P-C4' energy: -89.888 flat angles C4'-P-C4' energy: -87.703 flat angles P-C4'-P energy: -59.063 tors. eta vs tors. theta energy: -109.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1287.648163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.648163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.648163 (E_RNA) where: Base-Base interactions energy: -876.346 where: short stacking energy: -355.749 Base-Backbone interact. energy: 3.113 local terms energy: -414.414837 where: bonds (distance) C4'-P energy: -64.802 bonds (distance) P-C4' energy: -87.001 flat angles C4'-P-C4' energy: -100.041 flat angles P-C4'-P energy: -64.895 tors. eta vs tors. theta energy: -97.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1163.396813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.396813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.396813 (E_RNA) where: Base-Base interactions energy: -759.622 where: short stacking energy: -316.804 Base-Backbone interact. energy: -1.473 local terms energy: -402.301963 where: bonds (distance) C4'-P energy: -89.833 bonds (distance) P-C4' energy: -83.898 flat angles C4'-P-C4' energy: -84.075 flat angles P-C4'-P energy: -63.950 tors. eta vs tors. theta energy: -80.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -988.421163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.421163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.421163 (E_RNA) where: Base-Base interactions energy: -588.452 where: short stacking energy: -279.990 Base-Backbone interact. energy: -1.919 local terms energy: -398.050136 where: bonds (distance) C4'-P energy: -83.477 bonds (distance) P-C4' energy: -88.300 flat angles C4'-P-C4' energy: -89.543 flat angles P-C4'-P energy: -56.790 tors. eta vs tors. theta energy: -79.940 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: 9 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -740.258529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.258529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.258529 (E_RNA) where: Base-Base interactions energy: -405.587 where: short stacking energy: -228.800 Base-Backbone interact. energy: 2.898 local terms energy: -337.569199 where: bonds (distance) C4'-P energy: -80.990 bonds (distance) P-C4' energy: -85.900 flat angles C4'-P-C4' energy: -77.777 flat angles P-C4'-P energy: -50.013 tors. eta vs tors. theta energy: -42.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -702.722025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.722025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.722025 (E_RNA) where: Base-Base interactions energy: -378.988 where: short stacking energy: -188.008 Base-Backbone interact. energy: 1.925 local terms energy: -325.659509 where: bonds (distance) C4'-P energy: -83.693 bonds (distance) P-C4' energy: -82.903 flat angles C4'-P-C4' energy: -78.388 flat angles P-C4'-P energy: -45.500 tors. eta vs tors. theta energy: -35.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -531.504917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.504917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.504917 (E_RNA) where: Base-Base interactions energy: -274.538 where: short stacking energy: -153.427 Base-Backbone interact. energy: 1.623 local terms energy: -258.590208 where: bonds (distance) C4'-P energy: -69.059 bonds (distance) P-C4' energy: -86.999 flat angles C4'-P-C4' energy: -64.692 flat angles P-C4'-P energy: -37.514 tors. eta vs tors. theta energy: -0.326 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: 1 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -470.261630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.261630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.261630 (E_RNA) where: Base-Base interactions energy: -235.714 where: short stacking energy: -150.752 Base-Backbone interact. energy: 0.951 local terms energy: -235.498788 where: bonds (distance) C4'-P energy: -63.431 bonds (distance) P-C4' energy: -75.336 flat angles C4'-P-C4' energy: -66.657 flat angles P-C4'-P energy: -29.705 tors. eta vs tors. theta energy: -0.370 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: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -373.475952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.475952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.475952 (E_RNA) where: Base-Base interactions energy: -115.536 where: short stacking energy: -94.298 Base-Backbone interact. energy: 2.848 local terms energy: -260.787455 where: bonds (distance) C4'-P energy: -85.012 bonds (distance) P-C4' energy: -76.634 flat angles C4'-P-C4' energy: -70.890 flat angles P-C4'-P energy: -29.339 tors. eta vs tors. theta energy: 1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1517.413033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.413033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.413033 (E_RNA) where: Base-Base interactions energy: -1020.248 where: short stacking energy: -419.934 Base-Backbone interact. energy: -1.412 local terms energy: -495.753100 where: bonds (distance) C4'-P energy: -95.671 bonds (distance) P-C4' energy: -98.517 flat angles C4'-P-C4' energy: -95.518 flat angles P-C4'-P energy: -71.100 tors. eta vs tors. theta energy: -134.948 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: 6 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1354.865867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.865867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.865867 (E_RNA) where: Base-Base interactions energy: -910.639 where: short stacking energy: -374.316 Base-Backbone interact. energy: -3.491 local terms energy: -440.734991 where: bonds (distance) C4'-P energy: -90.027 bonds (distance) P-C4' energy: -91.277 flat angles C4'-P-C4' energy: -93.354 flat angles P-C4'-P energy: -61.998 tors. eta vs tors. theta energy: -104.078 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: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1330.649768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.649768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.649768 (E_RNA) where: Base-Base interactions energy: -893.501 where: short stacking energy: -367.709 Base-Backbone interact. energy: -3.192 local terms energy: -433.956389 where: bonds (distance) C4'-P energy: -93.753 bonds (distance) P-C4' energy: -92.924 flat angles C4'-P-C4' energy: -83.560 flat angles P-C4'-P energy: -64.806 tors. eta vs tors. theta energy: -98.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1234.547245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.547245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.547245 (E_RNA) where: Base-Base interactions energy: -837.435 where: short stacking energy: -357.724 Base-Backbone interact. energy: -1.695 local terms energy: -395.417229 where: bonds (distance) C4'-P energy: -83.960 bonds (distance) P-C4' energy: -79.628 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -47.135 tors. eta vs tors. theta energy: -95.696 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: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -979.058403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.058403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.058403 (E_RNA) where: Base-Base interactions energy: -604.142 where: short stacking energy: -311.524 Base-Backbone interact. energy: -0.392 local terms energy: -374.524402 where: bonds (distance) C4'-P energy: -88.757 bonds (distance) P-C4' energy: -73.632 flat angles C4'-P-C4' energy: -86.744 flat angles P-C4'-P energy: -47.760 tors. eta vs tors. theta energy: -77.633 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: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -737.735758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.735758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.735758 (E_RNA) where: Base-Base interactions energy: -431.941 where: short stacking energy: -260.765 Base-Backbone interact. energy: 1.185 local terms energy: -306.979529 where: bonds (distance) C4'-P energy: -71.647 bonds (distance) P-C4' energy: -73.128 flat angles C4'-P-C4' energy: -78.883 flat angles P-C4'-P energy: -37.532 tors. eta vs tors. theta energy: -45.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -695.119472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.119472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.119472 (E_RNA) where: Base-Base interactions energy: -387.788 where: short stacking energy: -188.822 Base-Backbone interact. energy: 2.160 local terms energy: -309.491328 where: bonds (distance) C4'-P energy: -89.354 bonds (distance) P-C4' energy: -75.012 flat angles C4'-P-C4' energy: -79.065 flat angles P-C4'-P energy: -38.622 tors. eta vs tors. theta energy: -27.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -578.655001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.655001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.655001 (E_RNA) where: Base-Base interactions energy: -297.696 where: short stacking energy: -173.458 Base-Backbone interact. energy: -1.178 local terms energy: -279.780420 where: bonds (distance) C4'-P energy: -75.500 bonds (distance) P-C4' energy: -82.056 flat angles C4'-P-C4' energy: -72.155 flat angles P-C4'-P energy: -33.021 tors. eta vs tors. theta energy: -17.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -515.126752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.126752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.126752 (E_RNA) where: Base-Base interactions energy: -229.718 where: short stacking energy: -151.652 Base-Backbone interact. energy: 2.043 local terms energy: -287.451375 where: bonds (distance) C4'-P energy: -78.056 bonds (distance) P-C4' energy: -62.348 flat angles C4'-P-C4' energy: -79.834 flat angles P-C4'-P energy: -38.539 tors. eta vs tors. theta energy: -28.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -399.213817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.213817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.213817 (E_RNA) where: Base-Base interactions energy: -135.101 where: short stacking energy: -124.994 Base-Backbone interact. energy: 0.643 local terms energy: -264.756493 where: bonds (distance) C4'-P energy: -86.419 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -57.709 flat angles P-C4'-P energy: -49.911 tors. eta vs tors. theta energy: 0.829 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: 1, replica: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1493.100222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.100222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.100222 (E_RNA) where: Base-Base interactions energy: -1014.745 where: short stacking energy: -456.947 Base-Backbone interact. energy: -1.339 local terms energy: -477.016191 where: bonds (distance) C4'-P energy: -94.139 bonds (distance) P-C4' energy: -89.860 flat angles C4'-P-C4' energy: -106.739 flat angles P-C4'-P energy: -51.353 tors. eta vs tors. theta energy: -134.926 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: 2, replica: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1365.177205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.177205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.177205 (E_RNA) where: Base-Base interactions energy: -910.889 where: short stacking energy: -401.009 Base-Backbone interact. energy: -5.560 local terms energy: -448.728638 where: bonds (distance) C4'-P energy: -90.624 bonds (distance) P-C4' energy: -76.792 flat angles C4'-P-C4' energy: -106.214 flat angles P-C4'-P energy: -64.547 tors. eta vs tors. theta energy: -110.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1308.923969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.923969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.923969 (E_RNA) where: Base-Base interactions energy: -871.620 where: short stacking energy: -361.269 Base-Backbone interact. energy: 1.567 local terms energy: -438.870739 where: bonds (distance) C4'-P energy: -81.469 bonds (distance) P-C4' energy: -99.293 flat angles C4'-P-C4' energy: -98.290 flat angles P-C4'-P energy: -60.893 tors. eta vs tors. theta energy: -98.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1239.681521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.681521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.681521 (E_RNA) where: Base-Base interactions energy: -817.976 where: short stacking energy: -352.410 Base-Backbone interact. energy: 1.194 local terms energy: -422.899426 where: bonds (distance) C4'-P energy: -81.328 bonds (distance) P-C4' energy: -89.124 flat angles C4'-P-C4' energy: -91.232 flat angles P-C4'-P energy: -63.458 tors. eta vs tors. theta energy: -97.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -969.040934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.040934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.040934 (E_RNA) where: Base-Base interactions energy: -585.278 where: short stacking energy: -293.596 Base-Backbone interact. energy: -1.705 local terms energy: -382.057331 where: bonds (distance) C4'-P energy: -76.909 bonds (distance) P-C4' energy: -77.271 flat angles C4'-P-C4' energy: -83.984 flat angles P-C4'-P energy: -71.083 tors. eta vs tors. theta energy: -72.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -707.765488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.765488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.765488 (E_RNA) where: Base-Base interactions energy: -383.042 where: short stacking energy: -200.999 Base-Backbone interact. energy: 1.267 local terms energy: -325.990259 where: bonds (distance) C4'-P energy: -78.973 bonds (distance) P-C4' energy: -96.636 flat angles C4'-P-C4' energy: -81.105 flat angles P-C4'-P energy: -48.929 tors. eta vs tors. theta energy: -20.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -700.995928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.995928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.995928 (E_RNA) where: Base-Base interactions energy: -397.655 where: short stacking energy: -208.125 Base-Backbone interact. energy: 0.252 local terms energy: -303.592837 where: bonds (distance) C4'-P energy: -74.212 bonds (distance) P-C4' energy: -70.922 flat angles C4'-P-C4' energy: -75.624 flat angles P-C4'-P energy: -57.005 tors. eta vs tors. theta energy: -25.829 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: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -563.572825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.572825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.572825 (E_RNA) where: Base-Base interactions energy: -309.433 where: short stacking energy: -188.868 Base-Backbone interact. energy: -1.319 local terms energy: -252.820533 where: bonds (distance) C4'-P energy: -70.564 bonds (distance) P-C4' energy: -73.411 flat angles C4'-P-C4' energy: -73.091 flat angles P-C4'-P energy: -32.441 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -479.553571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.553571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.553571 (E_RNA) where: Base-Base interactions energy: -230.287 where: short stacking energy: -139.227 Base-Backbone interact. energy: 1.694 local terms energy: -250.960444 where: bonds (distance) C4'-P energy: -67.928 bonds (distance) P-C4' energy: -85.645 flat angles C4'-P-C4' energy: -64.809 flat angles P-C4'-P energy: -38.307 tors. eta vs tors. theta energy: 5.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -348.837909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.837909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.837909 (E_RNA) where: Base-Base interactions energy: -110.716 where: short stacking energy: -93.363 Base-Backbone interact. energy: 0.805 local terms energy: -238.927486 where: bonds (distance) C4'-P energy: -85.531 bonds (distance) P-C4' energy: -66.098 flat angles C4'-P-C4' energy: -42.523 flat angles P-C4'-P energy: -49.274 tors. eta vs tors. theta energy: 4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1482.414056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.414056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.414056 (E_RNA) where: Base-Base interactions energy: -989.557 where: short stacking energy: -438.220 Base-Backbone interact. energy: 0.727 local terms energy: -493.583432 where: bonds (distance) C4'-P energy: -99.929 bonds (distance) P-C4' energy: -91.707 flat angles C4'-P-C4' energy: -102.836 flat angles P-C4'-P energy: -71.716 tors. eta vs tors. theta energy: -127.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1363.747208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.747208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.747208 (E_RNA) where: Base-Base interactions energy: -911.365 where: short stacking energy: -401.042 Base-Backbone interact. energy: 1.349 local terms energy: -453.731683 where: bonds (distance) C4'-P energy: -83.101 bonds (distance) P-C4' energy: -87.040 flat angles C4'-P-C4' energy: -108.615 flat angles P-C4'-P energy: -65.710 tors. eta vs tors. theta energy: -109.265 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: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1318.415952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.415952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.415952 (E_RNA) where: Base-Base interactions energy: -879.200 where: short stacking energy: -367.378 Base-Backbone interact. energy: -3.399 local terms energy: -435.816537 where: bonds (distance) C4'-P energy: -87.587 bonds (distance) P-C4' energy: -88.380 flat angles C4'-P-C4' energy: -101.661 flat angles P-C4'-P energy: -51.641 tors. eta vs tors. theta energy: -106.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1263.818695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.818695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.818695 (E_RNA) where: Base-Base interactions energy: -841.947 where: short stacking energy: -353.399 Base-Backbone interact. energy: 0.734 local terms energy: -422.605019 where: bonds (distance) C4'-P energy: -83.239 bonds (distance) P-C4' energy: -81.304 flat angles C4'-P-C4' energy: -101.148 flat angles P-C4'-P energy: -56.182 tors. eta vs tors. theta energy: -100.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -966.515773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.515773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.515773 (E_RNA) where: Base-Base interactions energy: -574.797 where: short stacking energy: -283.900 Base-Backbone interact. energy: -1.464 local terms energy: -390.254542 where: bonds (distance) C4'-P energy: -83.535 bonds (distance) P-C4' energy: -89.732 flat angles C4'-P-C4' energy: -91.142 flat angles P-C4'-P energy: -51.511 tors. eta vs tors. theta energy: -74.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -732.519793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.519793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.519793 (E_RNA) where: Base-Base interactions energy: -416.030 where: short stacking energy: -221.754 Base-Backbone interact. energy: -0.390 local terms energy: -316.099863 where: bonds (distance) C4'-P energy: -63.107 bonds (distance) P-C4' energy: -79.924 flat angles C4'-P-C4' energy: -76.544 flat angles P-C4'-P energy: -48.061 tors. eta vs tors. theta energy: -48.464 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: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -712.170535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.170535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.170535 (E_RNA) where: Base-Base interactions energy: -379.022 where: short stacking energy: -199.202 Base-Backbone interact. energy: -0.618 local terms energy: -332.529774 where: bonds (distance) C4'-P energy: -82.080 bonds (distance) P-C4' energy: -90.256 flat angles C4'-P-C4' energy: -62.662 flat angles P-C4'-P energy: -63.677 tors. eta vs tors. theta energy: -33.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -565.803772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.803772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.803772 (E_RNA) where: Base-Base interactions energy: -279.430 where: short stacking energy: -172.345 Base-Backbone interact. energy: -1.460 local terms energy: -284.913268 where: bonds (distance) C4'-P energy: -75.241 bonds (distance) P-C4' energy: -75.181 flat angles C4'-P-C4' energy: -68.449 flat angles P-C4'-P energy: -45.358 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: 9, replica: 1 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -483.553016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.553016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.553016 (E_RNA) where: Base-Base interactions energy: -243.713 where: short stacking energy: -145.564 Base-Backbone interact. energy: 1.477 local terms energy: -241.316708 where: bonds (distance) C4'-P energy: -72.518 bonds (distance) P-C4' energy: -83.464 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -23.471 tors. eta vs tors. theta energy: 8.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -362.472813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.472813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.472813 (E_RNA) where: Base-Base interactions energy: -128.586 where: short stacking energy: -86.147 Base-Backbone interact. energy: 1.116 local terms energy: -235.002364 where: bonds (distance) C4'-P energy: -51.466 bonds (distance) P-C4' energy: -84.724 flat angles C4'-P-C4' energy: -68.849 flat angles P-C4'-P energy: -52.648 tors. eta vs tors. theta energy: 22.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1508.259617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.259617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.259617 (E_RNA) where: Base-Base interactions energy: -1019.190 where: short stacking energy: -439.639 Base-Backbone interact. energy: -3.155 local terms energy: -485.914396 where: bonds (distance) C4'-P energy: -91.523 bonds (distance) P-C4' energy: -85.369 flat angles C4'-P-C4' energy: -102.106 flat angles P-C4'-P energy: -66.858 tors. eta vs tors. theta energy: -140.059 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: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1392.108492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.108492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.108492 (E_RNA) where: Base-Base interactions energy: -938.254 where: short stacking energy: -386.618 Base-Backbone interact. energy: -0.785 local terms energy: -453.070100 where: bonds (distance) C4'-P energy: -86.608 bonds (distance) P-C4' energy: -99.516 flat angles C4'-P-C4' energy: -96.457 flat angles P-C4'-P energy: -51.991 tors. eta vs tors. theta energy: -118.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1284.261917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.261917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.261917 (E_RNA) where: Base-Base interactions energy: -855.452 where: short stacking energy: -376.066 Base-Backbone interact. energy: -0.421 local terms energy: -428.389270 where: bonds (distance) C4'-P energy: -76.472 bonds (distance) P-C4' energy: -91.068 flat angles C4'-P-C4' energy: -91.549 flat angles P-C4'-P energy: -60.015 tors. eta vs tors. theta energy: -109.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1264.646451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.646451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.646451 (E_RNA) where: Base-Base interactions energy: -839.227 where: short stacking energy: -367.524 Base-Backbone interact. energy: -0.239 local terms energy: -425.180244 where: bonds (distance) C4'-P energy: -79.794 bonds (distance) P-C4' energy: -72.519 flat angles C4'-P-C4' energy: -97.816 flat angles P-C4'-P energy: -72.480 tors. eta vs tors. theta energy: -102.572 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: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -972.556374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.556374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.556374 (E_RNA) where: Base-Base interactions energy: -605.237 where: short stacking energy: -284.988 Base-Backbone interact. energy: -3.076 local terms energy: -364.243362 where: bonds (distance) C4'-P energy: -83.169 bonds (distance) P-C4' energy: -69.099 flat angles C4'-P-C4' energy: -79.490 flat angles P-C4'-P energy: -64.770 tors. eta vs tors. theta energy: -67.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -768.676962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.676962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.676962 (E_RNA) where: Base-Base interactions energy: -451.156 where: short stacking energy: -223.389 Base-Backbone interact. energy: -1.441 local terms energy: -316.079604 where: bonds (distance) C4'-P energy: -64.516 bonds (distance) P-C4' energy: -88.112 flat angles C4'-P-C4' energy: -78.270 flat angles P-C4'-P energy: -43.078 tors. eta vs tors. theta energy: -42.103 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: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -718.169623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.169623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.169623 (E_RNA) where: Base-Base interactions energy: -396.408 where: short stacking energy: -209.787 Base-Backbone interact. energy: 0.747 local terms energy: -322.508064 where: bonds (distance) C4'-P energy: -74.831 bonds (distance) P-C4' energy: -80.124 flat angles C4'-P-C4' energy: -76.119 flat angles P-C4'-P energy: -50.815 tors. eta vs tors. theta energy: -40.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -604.603036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.603036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.603036 (E_RNA) where: Base-Base interactions energy: -311.975 where: short stacking energy: -192.273 Base-Backbone interact. energy: -2.969 local terms energy: -289.659683 where: bonds (distance) C4'-P energy: -74.672 bonds (distance) P-C4' energy: -84.031 flat angles C4'-P-C4' energy: -74.767 flat angles P-C4'-P energy: -33.551 tors. eta vs tors. theta energy: -22.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -479.533918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.533918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.533918 (E_RNA) where: Base-Base interactions energy: -234.542 where: short stacking energy: -123.606 Base-Backbone interact. energy: 1.096 local terms energy: -246.088375 where: bonds (distance) C4'-P energy: -64.121 bonds (distance) P-C4' energy: -77.910 flat angles C4'-P-C4' energy: -54.770 flat angles P-C4'-P energy: -55.016 tors. eta vs tors. theta energy: 5.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -368.419778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.419778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.419778 (E_RNA) where: Base-Base interactions energy: -127.117 where: short stacking energy: -113.989 Base-Backbone interact. energy: 2.818 local terms energy: -244.120870 where: bonds (distance) C4'-P energy: -61.568 bonds (distance) P-C4' energy: -67.421 flat angles C4'-P-C4' energy: -70.419 flat angles P-C4'-P energy: -47.884 tors. eta vs tors. theta energy: 3.171 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: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1500.662100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.662100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.662100 (E_RNA) where: Base-Base interactions energy: -1020.244 where: short stacking energy: -435.147 Base-Backbone interact. energy: -0.596 local terms energy: -479.821634 where: bonds (distance) C4'-P energy: -87.123 bonds (distance) P-C4' energy: -89.075 flat angles C4'-P-C4' energy: -101.269 flat angles P-C4'-P energy: -73.884 tors. eta vs tors. theta energy: -128.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1403.752878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.752878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.752878 (E_RNA) where: Base-Base interactions energy: -940.229 where: short stacking energy: -422.829 Base-Backbone interact. energy: 2.725 local terms energy: -466.248017 where: bonds (distance) C4'-P energy: -92.760 bonds (distance) P-C4' energy: -86.807 flat angles C4'-P-C4' energy: -108.264 flat angles P-C4'-P energy: -65.087 tors. eta vs tors. theta energy: -113.331 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: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1301.256222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.256222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.256222 (E_RNA) where: Base-Base interactions energy: -857.494 where: short stacking energy: -360.943 Base-Backbone interact. energy: -3.597 local terms energy: -440.165009 where: bonds (distance) C4'-P energy: -84.798 bonds (distance) P-C4' energy: -97.189 flat angles C4'-P-C4' energy: -102.609 flat angles P-C4'-P energy: -56.550 tors. eta vs tors. theta energy: -99.019 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: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1207.570451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.570451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.570451 (E_RNA) where: Base-Base interactions energy: -797.100 where: short stacking energy: -324.959 Base-Backbone interact. energy: 2.041 local terms energy: -412.510648 where: bonds (distance) C4'-P energy: -90.663 bonds (distance) P-C4' energy: -73.272 flat angles C4'-P-C4' energy: -90.298 flat angles P-C4'-P energy: -69.237 tors. eta vs tors. theta energy: -89.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -987.840979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.840979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.840979 (E_RNA) where: Base-Base interactions energy: -599.815 where: short stacking energy: -284.827 Base-Backbone interact. energy: -1.086 local terms energy: -386.939733 where: bonds (distance) C4'-P energy: -90.231 bonds (distance) P-C4' energy: -95.035 flat angles C4'-P-C4' energy: -78.048 flat angles P-C4'-P energy: -59.433 tors. eta vs tors. theta energy: -64.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -807.644563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.644563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.644563 (E_RNA) where: Base-Base interactions energy: -476.515 where: short stacking energy: -223.104 Base-Backbone interact. energy: -1.649 local terms energy: -329.480524 where: bonds (distance) C4'-P energy: -72.802 bonds (distance) P-C4' energy: -82.844 flat angles C4'-P-C4' energy: -82.587 flat angles P-C4'-P energy: -49.454 tors. eta vs tors. theta energy: -41.794 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: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -710.364127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.364127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.364127 (E_RNA) where: Base-Base interactions energy: -381.450 where: short stacking energy: -208.050 Base-Backbone interact. energy: -0.087 local terms energy: -328.827124 where: bonds (distance) C4'-P energy: -79.105 bonds (distance) P-C4' energy: -74.835 flat angles C4'-P-C4' energy: -75.317 flat angles P-C4'-P energy: -49.430 tors. eta vs tors. theta energy: -50.140 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: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -574.338194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.338194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.338194 (E_RNA) where: Base-Base interactions energy: -290.003 where: short stacking energy: -158.767 Base-Backbone interact. energy: 3.483 local terms energy: -287.818344 where: bonds (distance) C4'-P energy: -86.284 bonds (distance) P-C4' energy: -85.291 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -41.506 tors. eta vs tors. theta energy: -8.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -488.309068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.309068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.309068 (E_RNA) where: Base-Base interactions energy: -242.989 where: short stacking energy: -127.254 Base-Backbone interact. energy: 2.626 local terms energy: -247.945791 where: bonds (distance) C4'-P energy: -83.465 bonds (distance) P-C4' energy: -79.431 flat angles C4'-P-C4' energy: -52.748 flat angles P-C4'-P energy: -43.524 tors. eta vs tors. theta energy: 11.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -394.123640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.123640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.123640 (E_RNA) where: Base-Base interactions energy: -143.644 where: short stacking energy: -113.938 Base-Backbone interact. energy: 4.060 local terms energy: -254.539795 where: bonds (distance) C4'-P energy: -79.048 bonds (distance) P-C4' energy: -71.419 flat angles C4'-P-C4' energy: -74.843 flat angles P-C4'-P energy: -32.898 tors. eta vs tors. theta energy: 3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1494.889538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.889538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.889538 (E_RNA) where: Base-Base interactions energy: -1006.042 where: short stacking energy: -410.601 Base-Backbone interact. energy: -2.332 local terms energy: -486.515215 where: bonds (distance) C4'-P energy: -92.212 bonds (distance) P-C4' energy: -98.323 flat angles C4'-P-C4' energy: -106.534 flat angles P-C4'-P energy: -66.434 tors. eta vs tors. theta energy: -123.012 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: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1431.751799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.751799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.751799 (E_RNA) where: Base-Base interactions energy: -995.346 where: short stacking energy: -399.482 Base-Backbone interact. energy: -4.057 local terms energy: -432.348559 where: bonds (distance) C4'-P energy: -70.160 bonds (distance) P-C4' energy: -96.482 flat angles C4'-P-C4' energy: -91.467 flat angles P-C4'-P energy: -63.535 tors. eta vs tors. theta energy: -110.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1344.358406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.358406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.358406 (E_RNA) where: Base-Base interactions energy: -896.052 where: short stacking energy: -397.035 Base-Backbone interact. energy: -1.184 local terms energy: -447.122966 where: bonds (distance) C4'-P energy: -81.799 bonds (distance) P-C4' energy: -82.333 flat angles C4'-P-C4' energy: -97.831 flat angles P-C4'-P energy: -70.827 tors. eta vs tors. theta energy: -114.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1208.342273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.342273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.342273 (E_RNA) where: Base-Base interactions energy: -774.822 where: short stacking energy: -336.597 Base-Backbone interact. energy: -1.722 local terms energy: -431.797857 where: bonds (distance) C4'-P energy: -91.499 bonds (distance) P-C4' energy: -89.077 flat angles C4'-P-C4' energy: -95.619 flat angles P-C4'-P energy: -63.710 tors. eta vs tors. theta energy: -91.893 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: 55 Temperature: 1.100000 Total energy: -1035.585381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.585381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.585381 (E_RNA) where: Base-Base interactions energy: -648.805 where: short stacking energy: -305.594 Base-Backbone interact. energy: 2.537 local terms energy: -389.318030 where: bonds (distance) C4'-P energy: -79.507 bonds (distance) P-C4' energy: -83.273 flat angles C4'-P-C4' energy: -86.407 flat angles P-C4'-P energy: -63.495 tors. eta vs tors. theta energy: -76.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -807.121549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.121549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.121549 (E_RNA) where: Base-Base interactions energy: -473.240 where: short stacking energy: -251.492 Base-Backbone interact. energy: -2.665 local terms energy: -331.216567 where: bonds (distance) C4'-P energy: -73.157 bonds (distance) P-C4' energy: -86.373 flat angles C4'-P-C4' energy: -83.931 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: -43.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -699.262348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.262348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.262348 (E_RNA) where: Base-Base interactions energy: -365.586 where: short stacking energy: -184.954 Base-Backbone interact. energy: -2.678 local terms energy: -330.999061 where: bonds (distance) C4'-P energy: -82.661 bonds (distance) P-C4' energy: -85.962 flat angles C4'-P-C4' energy: -89.776 flat angles P-C4'-P energy: -40.867 tors. eta vs tors. theta energy: -31.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -577.831477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.831477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.831477 (E_RNA) where: Base-Base interactions energy: -301.145 where: short stacking energy: -187.218 Base-Backbone interact. energy: 1.130 local terms energy: -277.817162 where: bonds (distance) C4'-P energy: -64.616 bonds (distance) P-C4' energy: -73.865 flat angles C4'-P-C4' energy: -79.787 flat angles P-C4'-P energy: -43.587 tors. eta vs tors. theta energy: -15.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -534.367592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.367592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.367592 (E_RNA) where: Base-Base interactions energy: -268.302 where: short stacking energy: -172.345 Base-Backbone interact. energy: -0.752 local terms energy: -265.313564 where: bonds (distance) C4'-P energy: -75.275 bonds (distance) P-C4' energy: -68.921 flat angles C4'-P-C4' energy: -71.530 flat angles P-C4'-P energy: -37.138 tors. eta vs tors. theta energy: -12.449 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: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -372.423076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.423076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.423076 (E_RNA) where: Base-Base interactions energy: -148.071 where: short stacking energy: -88.207 Base-Backbone interact. energy: 0.073 local terms energy: -224.425259 where: bonds (distance) C4'-P energy: -71.521 bonds (distance) P-C4' energy: -80.665 flat angles C4'-P-C4' energy: -59.321 flat angles P-C4'-P energy: -34.907 tors. eta vs tors. theta energy: 21.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1510.069902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.069902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.069902 (E_RNA) where: Base-Base interactions energy: -1027.545 where: short stacking energy: -438.225 Base-Backbone interact. energy: -0.580 local terms energy: -481.944877 where: bonds (distance) C4'-P energy: -96.523 bonds (distance) P-C4' energy: -95.560 flat angles C4'-P-C4' energy: -98.081 flat angles P-C4'-P energy: -72.466 tors. eta vs tors. theta energy: -119.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1402.809484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.809484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.809484 (E_RNA) where: Base-Base interactions energy: -939.662 where: short stacking energy: -378.932 Base-Backbone interact. energy: -4.634 local terms energy: -458.513418 where: bonds (distance) C4'-P energy: -89.153 bonds (distance) P-C4' energy: -93.588 flat angles C4'-P-C4' energy: -97.653 flat angles P-C4'-P energy: -58.446 tors. eta vs tors. theta energy: -119.674 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: 3, replica: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1349.597061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.597061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.597061 (E_RNA) where: Base-Base interactions energy: -898.507 where: short stacking energy: -400.956 Base-Backbone interact. energy: 1.689 local terms energy: -452.778409 where: bonds (distance) C4'-P energy: -81.611 bonds (distance) P-C4' energy: -82.076 flat angles C4'-P-C4' energy: -101.399 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -118.573 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: 2 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1221.826362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.826362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.826362 (E_RNA) where: Base-Base interactions energy: -791.903 where: short stacking energy: -331.246 Base-Backbone interact. energy: -1.189 local terms energy: -428.733915 where: bonds (distance) C4'-P energy: -82.139 bonds (distance) P-C4' energy: -93.455 flat angles C4'-P-C4' energy: -101.187 flat angles P-C4'-P energy: -65.796 tors. eta vs tors. theta energy: -86.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1001.935742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.935742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.935742 (E_RNA) where: Base-Base interactions energy: -609.718 where: short stacking energy: -317.291 Base-Backbone interact. energy: 0.956 local terms energy: -393.173712 where: bonds (distance) C4'-P energy: -64.257 bonds (distance) P-C4' energy: -75.610 flat angles C4'-P-C4' energy: -101.725 flat angles P-C4'-P energy: -62.320 tors. eta vs tors. theta energy: -89.262 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: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -801.598257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.598257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.598257 (E_RNA) where: Base-Base interactions energy: -450.907 where: short stacking energy: -226.902 Base-Backbone interact. energy: -1.826 local terms energy: -348.865858 where: bonds (distance) C4'-P energy: -83.249 bonds (distance) P-C4' energy: -85.692 flat angles C4'-P-C4' energy: -78.614 flat angles P-C4'-P energy: -53.317 tors. eta vs tors. theta energy: -47.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -717.081849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.081849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.081849 (E_RNA) where: Base-Base interactions energy: -396.838 where: short stacking energy: -219.906 Base-Backbone interact. energy: 3.737 local terms energy: -323.980713 where: bonds (distance) C4'-P energy: -87.056 bonds (distance) P-C4' energy: -77.396 flat angles C4'-P-C4' energy: -60.976 flat angles P-C4'-P energy: -52.542 tors. eta vs tors. theta energy: -46.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -641.032393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.032393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.032393 (E_RNA) where: Base-Base interactions energy: -330.373 where: short stacking energy: -192.976 Base-Backbone interact. energy: 0.002 local terms energy: -310.661511 where: bonds (distance) C4'-P energy: -79.504 bonds (distance) P-C4' energy: -83.297 flat angles C4'-P-C4' energy: -68.379 flat angles P-C4'-P energy: -49.163 tors. eta vs tors. theta energy: -30.319 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: 1 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -529.833706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.833706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.833706 (E_RNA) where: Base-Base interactions energy: -245.998 where: short stacking energy: -146.266 Base-Backbone interact. energy: -0.249 local terms energy: -283.586878 where: bonds (distance) C4'-P energy: -74.477 bonds (distance) P-C4' energy: -75.930 flat angles C4'-P-C4' energy: -73.415 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -14.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -358.132489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.132489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.132489 (E_RNA) where: Base-Base interactions energy: -144.806 where: short stacking energy: -93.175 Base-Backbone interact. energy: 5.791 local terms energy: -219.117641 where: bonds (distance) C4'-P energy: -78.157 bonds (distance) P-C4' energy: -55.694 flat angles C4'-P-C4' energy: -53.454 flat angles P-C4'-P energy: -41.532 tors. eta vs tors. theta energy: 9.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1505.624440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.624440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.624440 (E_RNA) where: Base-Base interactions energy: -1010.362 where: short stacking energy: -443.647 Base-Backbone interact. energy: 0.168 local terms energy: -495.430985 where: bonds (distance) C4'-P energy: -95.524 bonds (distance) P-C4' energy: -91.373 flat angles C4'-P-C4' energy: -102.304 flat angles P-C4'-P energy: -70.780 tors. eta vs tors. theta energy: -135.449 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: 6 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1413.258162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.258162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.258162 (E_RNA) where: Base-Base interactions energy: -979.604 where: short stacking energy: -417.091 Base-Backbone interact. energy: -2.592 local terms energy: -431.062936 where: bonds (distance) C4'-P energy: -89.147 bonds (distance) P-C4' energy: -87.168 flat angles C4'-P-C4' energy: -93.917 flat angles P-C4'-P energy: -50.883 tors. eta vs tors. theta energy: -109.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1375.863952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.863952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.863952 (E_RNA) where: Base-Base interactions energy: -922.300 where: short stacking energy: -389.831 Base-Backbone interact. energy: -1.590 local terms energy: -451.973851 where: bonds (distance) C4'-P energy: -84.929 bonds (distance) P-C4' energy: -86.627 flat angles C4'-P-C4' energy: -103.795 flat angles P-C4'-P energy: -71.451 tors. eta vs tors. theta energy: -105.172 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: 2 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1182.413123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.413123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.413123 (E_RNA) where: Base-Base interactions energy: -768.802 where: short stacking energy: -336.184 Base-Backbone interact. energy: -1.063 local terms energy: -412.548481 where: bonds (distance) C4'-P energy: -82.130 bonds (distance) P-C4' energy: -88.767 flat angles C4'-P-C4' energy: -91.142 flat angles P-C4'-P energy: -60.308 tors. eta vs tors. theta energy: -90.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1007.673825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.673825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.673825 (E_RNA) where: Base-Base interactions energy: -615.903 where: short stacking energy: -304.296 Base-Backbone interact. energy: -2.981 local terms energy: -388.789380 where: bonds (distance) C4'-P energy: -77.571 bonds (distance) P-C4' energy: -86.414 flat angles C4'-P-C4' energy: -84.590 flat angles P-C4'-P energy: -51.525 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: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -818.197105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.197105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.197105 (E_RNA) where: Base-Base interactions energy: -489.018 where: short stacking energy: -218.458 Base-Backbone interact. energy: 2.657 local terms energy: -331.835762 where: bonds (distance) C4'-P energy: -80.870 bonds (distance) P-C4' energy: -69.636 flat angles C4'-P-C4' energy: -94.257 flat angles P-C4'-P energy: -56.227 tors. eta vs tors. theta energy: -30.846 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: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -700.344077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.344077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.344077 (E_RNA) where: Base-Base interactions energy: -394.648 where: short stacking energy: -219.502 Base-Backbone interact. energy: -1.438 local terms energy: -304.258139 where: bonds (distance) C4'-P energy: -79.000 bonds (distance) P-C4' energy: -69.730 flat angles C4'-P-C4' energy: -81.410 flat angles P-C4'-P energy: -49.689 tors. eta vs tors. theta energy: -24.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -597.871398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.871398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.871398 (E_RNA) where: Base-Base interactions energy: -300.945 where: short stacking energy: -178.447 Base-Backbone interact. energy: 0.004 local terms energy: -296.930578 where: bonds (distance) C4'-P energy: -82.900 bonds (distance) P-C4' energy: -90.092 flat angles C4'-P-C4' energy: -63.262 flat angles P-C4'-P energy: -32.897 tors. eta vs tors. theta energy: -27.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -500.052299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.052299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.052299 (E_RNA) where: Base-Base interactions energy: -222.598 where: short stacking energy: -143.093 Base-Backbone interact. energy: 1.177 local terms energy: -278.630481 where: bonds (distance) C4'-P energy: -73.108 bonds (distance) P-C4' energy: -71.863 flat angles C4'-P-C4' energy: -76.986 flat angles P-C4'-P energy: -46.325 tors. eta vs tors. theta energy: -10.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -356.259490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.259490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.259490 (E_RNA) where: Base-Base interactions energy: -112.159 where: short stacking energy: -84.258 Base-Backbone interact. energy: 5.109 local terms energy: -249.208895 where: bonds (distance) C4'-P energy: -75.050 bonds (distance) P-C4' energy: -76.120 flat angles C4'-P-C4' energy: -58.426 flat angles P-C4'-P energy: -55.550 tors. eta vs tors. theta energy: 15.937 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: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1525.295745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.295745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.295745 (E_RNA) where: Base-Base interactions energy: -1044.606 where: short stacking energy: -463.115 Base-Backbone interact. energy: -3.040 local terms energy: -477.649919 where: bonds (distance) C4'-P energy: -78.069 bonds (distance) P-C4' energy: -90.289 flat angles C4'-P-C4' energy: -96.635 flat angles P-C4'-P energy: -67.756 tors. eta vs tors. theta energy: -144.901 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: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1396.431757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.431757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.431757 (E_RNA) where: Base-Base interactions energy: -946.027 where: short stacking energy: -409.890 Base-Backbone interact. energy: -2.798 local terms energy: -447.606341 where: bonds (distance) C4'-P energy: -85.391 bonds (distance) P-C4' energy: -90.945 flat angles C4'-P-C4' energy: -95.541 flat angles P-C4'-P energy: -61.419 tors. eta vs tors. theta energy: -114.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1369.077775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.077775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.077775 (E_RNA) where: Base-Base interactions energy: -941.681 where: short stacking energy: -397.563 Base-Backbone interact. energy: -0.746 local terms energy: -426.650888 where: bonds (distance) C4'-P energy: -79.059 bonds (distance) P-C4' energy: -91.365 flat angles C4'-P-C4' energy: -91.019 flat angles P-C4'-P energy: -54.743 tors. eta vs tors. theta energy: -110.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1243.630762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.630762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.630762 (E_RNA) where: Base-Base interactions energy: -810.338 where: short stacking energy: -337.376 Base-Backbone interact. energy: -1.781 local terms energy: -431.512431 where: bonds (distance) C4'-P energy: -86.161 bonds (distance) P-C4' energy: -93.790 flat angles C4'-P-C4' energy: -96.685 flat angles P-C4'-P energy: -60.933 tors. eta vs tors. theta energy: -93.944 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: 58 Temperature: 1.100000 Total energy: -989.149038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.149038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.149038 (E_RNA) where: Base-Base interactions energy: -608.406 where: short stacking energy: -282.513 Base-Backbone interact. energy: -1.738 local terms energy: -379.004771 where: bonds (distance) C4'-P energy: -83.064 bonds (distance) P-C4' energy: -91.028 flat angles C4'-P-C4' energy: -79.895 flat angles P-C4'-P energy: -60.487 tors. eta vs tors. theta energy: -64.531 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: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -825.905566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.905566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.905566 (E_RNA) where: Base-Base interactions energy: -478.913 where: short stacking energy: -229.022 Base-Backbone interact. energy: -0.379 local terms energy: -346.613832 where: bonds (distance) C4'-P energy: -71.708 bonds (distance) P-C4' energy: -87.753 flat angles C4'-P-C4' energy: -87.098 flat angles P-C4'-P energy: -52.611 tors. eta vs tors. theta energy: -47.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -664.396318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.396318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.396318 (E_RNA) where: Base-Base interactions energy: -354.617 where: short stacking energy: -179.610 Base-Backbone interact. energy: -1.651 local terms energy: -308.128307 where: bonds (distance) C4'-P energy: -82.932 bonds (distance) P-C4' energy: -87.843 flat angles C4'-P-C4' energy: -68.379 flat angles P-C4'-P energy: -45.166 tors. eta vs tors. theta energy: -23.809 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: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -573.798729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.798729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.798729 (E_RNA) where: Base-Base interactions energy: -267.049 where: short stacking energy: -148.421 Base-Backbone interact. energy: -2.652 local terms energy: -304.098128 where: bonds (distance) C4'-P energy: -78.619 bonds (distance) P-C4' energy: -86.941 flat angles C4'-P-C4' energy: -85.283 flat angles P-C4'-P energy: -41.354 tors. eta vs tors. theta energy: -11.901 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: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -552.422627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.422627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.422627 (E_RNA) where: Base-Base interactions energy: -263.208 where: short stacking energy: -144.765 Base-Backbone interact. energy: -0.761 local terms energy: -288.453469 where: bonds (distance) C4'-P energy: -78.556 bonds (distance) P-C4' energy: -79.855 flat angles C4'-P-C4' energy: -70.960 flat angles P-C4'-P energy: -47.663 tors. eta vs tors. theta energy: -11.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -348.358063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.358063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.358063 (E_RNA) where: Base-Base interactions energy: -130.624 where: short stacking energy: -109.217 Base-Backbone interact. energy: 1.904 local terms energy: -219.638085 where: bonds (distance) C4'-P energy: -74.900 bonds (distance) P-C4' energy: -80.541 flat angles C4'-P-C4' energy: -45.621 flat angles P-C4'-P energy: -36.898 tors. eta vs tors. theta energy: 18.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1514.577935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.577935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.577935 (E_RNA) where: Base-Base interactions energy: -1013.257 where: short stacking energy: -448.513 Base-Backbone interact. energy: -2.651 local terms energy: -498.669714 where: bonds (distance) C4'-P energy: -97.292 bonds (distance) P-C4' energy: -84.602 flat angles C4'-P-C4' energy: -106.049 flat angles P-C4'-P energy: -74.161 tors. eta vs tors. theta energy: -136.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1387.353639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.353639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.353639 (E_RNA) where: Base-Base interactions energy: -937.144 where: short stacking energy: -422.826 Base-Backbone interact. energy: -3.421 local terms energy: -446.788389 where: bonds (distance) C4'-P energy: -76.312 bonds (distance) P-C4' energy: -96.106 flat angles C4'-P-C4' energy: -97.065 flat angles P-C4'-P energy: -61.614 tors. eta vs tors. theta energy: -115.691 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: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1324.179094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.179094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.179094 (E_RNA) where: Base-Base interactions energy: -904.517 where: short stacking energy: -374.440 Base-Backbone interact. energy: -0.496 local terms energy: -419.166129 where: bonds (distance) C4'-P energy: -80.001 bonds (distance) P-C4' energy: -80.823 flat angles C4'-P-C4' energy: -94.920 flat angles P-C4'-P energy: -62.875 tors. eta vs tors. theta energy: -100.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1250.861029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.861029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.861029 (E_RNA) where: Base-Base interactions energy: -847.928 where: short stacking energy: -338.795 Base-Backbone interact. energy: -2.208 local terms energy: -400.725721 where: bonds (distance) C4'-P energy: -80.451 bonds (distance) P-C4' energy: -81.644 flat angles C4'-P-C4' energy: -85.536 flat angles P-C4'-P energy: -54.321 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: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1013.377722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.377722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.377722 (E_RNA) where: Base-Base interactions energy: -632.846 where: short stacking energy: -310.288 Base-Backbone interact. energy: -0.733 local terms energy: -379.798674 where: bonds (distance) C4'-P energy: -77.662 bonds (distance) P-C4' energy: -86.321 flat angles C4'-P-C4' energy: -82.821 flat angles P-C4'-P energy: -46.567 tors. eta vs tors. theta energy: -86.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -833.996077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.996077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.996077 (E_RNA) where: Base-Base interactions energy: -493.750 where: short stacking energy: -221.175 Base-Backbone interact. energy: -3.599 local terms energy: -336.646814 where: bonds (distance) C4'-P energy: -90.324 bonds (distance) P-C4' energy: -77.442 flat angles C4'-P-C4' energy: -76.756 flat angles P-C4'-P energy: -50.800 tors. eta vs tors. theta energy: -41.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -683.721780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.721780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.721780 (E_RNA) where: Base-Base interactions energy: -351.930 where: short stacking energy: -181.519 Base-Backbone interact. energy: 0.235 local terms energy: -332.026366 where: bonds (distance) C4'-P energy: -88.163 bonds (distance) P-C4' energy: -82.337 flat angles C4'-P-C4' energy: -77.614 flat angles P-C4'-P energy: -57.541 tors. eta vs tors. theta energy: -26.372 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: 59 Temperature: 1.250000 Total energy: -635.050427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.050427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.050427 (E_RNA) where: Base-Base interactions energy: -345.001 where: short stacking energy: -186.463 Base-Backbone interact. energy: -1.204 local terms energy: -288.844890 where: bonds (distance) C4'-P energy: -74.739 bonds (distance) P-C4' energy: -80.565 flat angles C4'-P-C4' energy: -86.796 flat angles P-C4'-P energy: -24.549 tors. eta vs tors. theta energy: -22.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -574.248732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.248732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.248732 (E_RNA) where: Base-Base interactions energy: -287.022 where: short stacking energy: -153.892 Base-Backbone interact. energy: 1.473 local terms energy: -288.699557 where: bonds (distance) C4'-P energy: -83.463 bonds (distance) P-C4' energy: -82.973 flat angles C4'-P-C4' energy: -67.463 flat angles P-C4'-P energy: -48.020 tors. eta vs tors. theta energy: -6.781 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: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -364.248100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.248100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.248100 (E_RNA) where: Base-Base interactions energy: -130.090 where: short stacking energy: -108.998 Base-Backbone interact. energy: -2.959 local terms energy: -231.199445 where: bonds (distance) C4'-P energy: -64.952 bonds (distance) P-C4' energy: -65.815 flat angles C4'-P-C4' energy: -54.884 flat angles P-C4'-P energy: -46.534 tors. eta vs tors. theta energy: 0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1492.257841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.257841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.257841 (E_RNA) where: Base-Base interactions energy: -1001.611 where: short stacking energy: -421.190 Base-Backbone interact. energy: -1.901 local terms energy: -488.746559 where: bonds (distance) C4'-P energy: -101.889 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -98.897 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: -134.867 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: 2, replica: 6 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1395.290185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.290185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.290185 (E_RNA) where: Base-Base interactions energy: -944.697 where: short stacking energy: -411.869 Base-Backbone interact. energy: -3.449 local terms energy: -447.144716 where: bonds (distance) C4'-P energy: -78.483 bonds (distance) P-C4' energy: -97.977 flat angles C4'-P-C4' energy: -99.130 flat angles P-C4'-P energy: -59.935 tors. eta vs tors. theta energy: -111.620 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: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1320.405874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.405874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.405874 (E_RNA) where: Base-Base interactions energy: -893.591 where: short stacking energy: -356.160 Base-Backbone interact. energy: -0.798 local terms energy: -426.016214 where: bonds (distance) C4'-P energy: -87.188 bonds (distance) P-C4' energy: -101.844 flat angles C4'-P-C4' energy: -88.725 flat angles P-C4'-P energy: -60.155 tors. eta vs tors. theta energy: -88.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1235.715857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.715857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.715857 (E_RNA) where: Base-Base interactions energy: -815.544 where: short stacking energy: -310.973 Base-Backbone interact. energy: -2.686 local terms energy: -417.486588 where: bonds (distance) C4'-P energy: -94.899 bonds (distance) P-C4' energy: -87.943 flat angles C4'-P-C4' energy: -92.873 flat angles P-C4'-P energy: -59.909 tors. eta vs tors. theta energy: -81.863 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: 8 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -997.351108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.351108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.351108 (E_RNA) where: Base-Base interactions energy: -633.359 where: short stacking energy: -286.257 Base-Backbone interact. energy: -2.311 local terms energy: -361.681307 where: bonds (distance) C4'-P energy: -87.531 bonds (distance) P-C4' energy: -85.827 flat angles C4'-P-C4' energy: -71.369 flat angles P-C4'-P energy: -53.645 tors. eta vs tors. theta energy: -63.309 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: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -793.900333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.900333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.900333 (E_RNA) where: Base-Base interactions energy: -455.459 where: short stacking energy: -225.022 Base-Backbone interact. energy: 5.614 local terms energy: -344.055908 where: bonds (distance) C4'-P energy: -67.761 bonds (distance) P-C4' energy: -87.710 flat angles C4'-P-C4' energy: -87.346 flat angles P-C4'-P energy: -58.359 tors. eta vs tors. theta energy: -42.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -732.834652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.834652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.834652 (E_RNA) where: Base-Base interactions energy: -421.178 where: short stacking energy: -193.591 Base-Backbone interact. energy: -0.388 local terms energy: -311.268626 where: bonds (distance) C4'-P energy: -79.343 bonds (distance) P-C4' energy: -86.855 flat angles C4'-P-C4' energy: -84.909 flat angles P-C4'-P energy: -37.642 tors. eta vs tors. theta energy: -22.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -623.312743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.312743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.312743 (E_RNA) where: Base-Base interactions energy: -325.730 where: short stacking energy: -193.931 Base-Backbone interact. energy: 1.396 local terms energy: -298.978359 where: bonds (distance) C4'-P energy: -63.188 bonds (distance) P-C4' energy: -93.161 flat angles C4'-P-C4' energy: -79.548 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -16.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -576.238985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.238985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.238985 (E_RNA) where: Base-Base interactions energy: -298.803 where: short stacking energy: -155.366 Base-Backbone interact. energy: -1.764 local terms energy: -275.672319 where: bonds (distance) C4'-P energy: -64.293 bonds (distance) P-C4' energy: -78.616 flat angles C4'-P-C4' energy: -72.388 flat angles P-C4'-P energy: -47.642 tors. eta vs tors. theta energy: -12.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -393.216828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.216828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.216828 (E_RNA) where: Base-Base interactions energy: -156.085 where: short stacking energy: -104.958 Base-Backbone interact. energy: 1.458 local terms energy: -238.590134 where: bonds (distance) C4'-P energy: -81.146 bonds (distance) P-C4' energy: -78.612 flat angles C4'-P-C4' energy: -46.878 flat angles P-C4'-P energy: -48.067 tors. eta vs tors. theta energy: 16.112 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: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1539.330902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.330902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.330902 (E_RNA) where: Base-Base interactions energy: -1025.308 where: short stacking energy: -437.158 Base-Backbone interact. energy: -0.992 local terms energy: -513.030319 where: bonds (distance) C4'-P energy: -95.118 bonds (distance) P-C4' energy: -95.017 flat angles C4'-P-C4' energy: -108.553 flat angles P-C4'-P energy: -70.549 tors. eta vs tors. theta energy: -143.794 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: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1397.489892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.489892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.489892 (E_RNA) where: Base-Base interactions energy: -930.757 where: short stacking energy: -425.810 Base-Backbone interact. energy: 0.606 local terms energy: -467.339040 where: bonds (distance) C4'-P energy: -86.744 bonds (distance) P-C4' energy: -89.738 flat angles C4'-P-C4' energy: -97.442 flat angles P-C4'-P energy: -67.709 tors. eta vs tors. theta energy: -125.707 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: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1368.854244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.854244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.854244 (E_RNA) where: Base-Base interactions energy: -930.419 where: short stacking energy: -374.873 Base-Backbone interact. energy: -1.087 local terms energy: -437.348578 where: bonds (distance) C4'-P energy: -75.979 bonds (distance) P-C4' energy: -85.311 flat angles C4'-P-C4' energy: -104.559 flat angles P-C4'-P energy: -71.099 tors. eta vs tors. theta energy: -100.400 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: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1245.131072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.131072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.131072 (E_RNA) where: Base-Base interactions energy: -854.439 where: short stacking energy: -338.405 Base-Backbone interact. energy: -1.260 local terms energy: -389.432308 where: bonds (distance) C4'-P energy: -76.035 bonds (distance) P-C4' energy: -78.408 flat angles C4'-P-C4' energy: -91.119 flat angles P-C4'-P energy: -59.001 tors. eta vs tors. theta energy: -84.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1036.699633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.699633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.699633 (E_RNA) where: Base-Base interactions energy: -628.300 where: short stacking energy: -305.533 Base-Backbone interact. energy: -0.631 local terms energy: -407.768702 where: bonds (distance) C4'-P energy: -86.994 bonds (distance) P-C4' energy: -88.487 flat angles C4'-P-C4' energy: -87.251 flat angles P-C4'-P energy: -68.364 tors. eta vs tors. theta energy: -76.673 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: 6, replica: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -860.043250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.043250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.043250 (E_RNA) where: Base-Base interactions energy: -486.350 where: short stacking energy: -257.954 Base-Backbone interact. energy: -3.781 local terms energy: -369.912365 where: bonds (distance) C4'-P energy: -88.183 bonds (distance) P-C4' energy: -76.202 flat angles C4'-P-C4' energy: -85.982 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: -59.656 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: 61 Temperature: 1.200000 Total energy: -674.961958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.961958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.961958 (E_RNA) where: Base-Base interactions energy: -359.161 where: short stacking energy: -178.530 Base-Backbone interact. energy: 1.603 local terms energy: -317.403563 where: bonds (distance) C4'-P energy: -83.222 bonds (distance) P-C4' energy: -94.647 flat angles C4'-P-C4' energy: -75.795 flat angles P-C4'-P energy: -44.143 tors. eta vs tors. theta energy: -19.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -598.823879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.823879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.823879 (E_RNA) where: Base-Base interactions energy: -308.158 where: short stacking energy: -164.612 Base-Backbone interact. energy: 0.229 local terms energy: -290.894242 where: bonds (distance) C4'-P energy: -75.464 bonds (distance) P-C4' energy: -70.641 flat angles C4'-P-C4' energy: -85.049 flat angles P-C4'-P energy: -51.326 tors. eta vs tors. theta energy: -8.414 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: 61 Temperature: 1.300000 Total energy: -548.242842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.242842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.242842 (E_RNA) where: Base-Base interactions energy: -277.359 where: short stacking energy: -162.327 Base-Backbone interact. energy: 7.862 local terms energy: -278.745619 where: bonds (distance) C4'-P energy: -85.769 bonds (distance) P-C4' energy: -69.116 flat angles C4'-P-C4' energy: -72.724 flat angles P-C4'-P energy: -46.423 tors. eta vs tors. theta energy: -4.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -364.836605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.836605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.836605 (E_RNA) where: Base-Base interactions energy: -133.908 where: short stacking energy: -86.431 Base-Backbone interact. energy: -2.032 local terms energy: -228.896051 where: bonds (distance) C4'-P energy: -76.497 bonds (distance) P-C4' energy: -80.821 flat angles C4'-P-C4' energy: -53.634 flat angles P-C4'-P energy: -34.457 tors. eta vs tors. theta energy: 16.513 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: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1511.959956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.959956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.959956 (E_RNA) where: Base-Base interactions energy: -1013.157 where: short stacking energy: -459.405 Base-Backbone interact. energy: -1.167 local terms energy: -497.635891 where: bonds (distance) C4'-P energy: -92.954 bonds (distance) P-C4' energy: -82.874 flat angles C4'-P-C4' energy: -109.653 flat angles P-C4'-P energy: -73.036 tors. eta vs tors. theta energy: -139.119 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: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1426.625890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.625890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.625890 (E_RNA) where: Base-Base interactions energy: -964.446 where: short stacking energy: -444.485 Base-Backbone interact. energy: -3.037 local terms energy: -459.142797 where: bonds (distance) C4'-P energy: -82.533 bonds (distance) P-C4' energy: -94.358 flat angles C4'-P-C4' energy: -99.705 flat angles P-C4'-P energy: -61.555 tors. eta vs tors. theta energy: -120.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1395.234245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.234245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.234245 (E_RNA) where: Base-Base interactions energy: -978.272 where: short stacking energy: -401.141 Base-Backbone interact. energy: -2.152 local terms energy: -414.809816 where: bonds (distance) C4'-P energy: -75.412 bonds (distance) P-C4' energy: -74.833 flat angles C4'-P-C4' energy: -100.320 flat angles P-C4'-P energy: -64.682 tors. eta vs tors. theta energy: -99.563 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: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1212.326324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.326324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.326324 (E_RNA) where: Base-Base interactions energy: -827.348 where: short stacking energy: -345.968 Base-Backbone interact. energy: 0.200 local terms energy: -385.178593 where: bonds (distance) C4'-P energy: -83.002 bonds (distance) P-C4' energy: -74.114 flat angles C4'-P-C4' energy: -82.881 flat angles P-C4'-P energy: -62.307 tors. eta vs tors. theta energy: -82.875 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: 5, replica: 8 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1040.749365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.749365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.749365 (E_RNA) where: Base-Base interactions energy: -619.889 where: short stacking energy: -319.844 Base-Backbone interact. energy: 0.323 local terms energy: -421.182701 where: bonds (distance) C4'-P energy: -97.796 bonds (distance) P-C4' energy: -86.281 flat angles C4'-P-C4' energy: -97.182 flat angles P-C4'-P energy: -56.261 tors. eta vs tors. theta energy: -83.663 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: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -798.650949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.650949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.650949 (E_RNA) where: Base-Base interactions energy: -477.478 where: short stacking energy: -226.861 Base-Backbone interact. energy: -1.518 local terms energy: -319.654477 where: bonds (distance) C4'-P energy: -83.402 bonds (distance) P-C4' energy: -71.142 flat angles C4'-P-C4' energy: -86.717 flat angles P-C4'-P energy: -48.467 tors. eta vs tors. theta energy: -29.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -719.319270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.319270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.319270 (E_RNA) where: Base-Base interactions energy: -394.383 where: short stacking energy: -193.633 Base-Backbone interact. energy: -3.176 local terms energy: -321.759587 where: bonds (distance) C4'-P energy: -79.499 bonds (distance) P-C4' energy: -80.540 flat angles C4'-P-C4' energy: -73.501 flat angles P-C4'-P energy: -50.742 tors. eta vs tors. theta energy: -37.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -527.785555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.785555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.785555 (E_RNA) where: Base-Base interactions energy: -277.486 where: short stacking energy: -173.020 Base-Backbone interact. energy: -1.214 local terms energy: -249.085637 where: bonds (distance) C4'-P energy: -67.941 bonds (distance) P-C4' energy: -81.936 flat angles C4'-P-C4' energy: -73.396 flat angles P-C4'-P energy: -32.235 tors. eta vs tors. theta energy: 6.423 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: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -567.833912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.833912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.833912 (E_RNA) where: Base-Base interactions energy: -282.810 where: short stacking energy: -140.520 Base-Backbone interact. energy: -3.286 local terms energy: -281.737788 where: bonds (distance) C4'-P energy: -85.876 bonds (distance) P-C4' energy: -78.218 flat angles C4'-P-C4' energy: -63.089 flat angles P-C4'-P energy: -48.561 tors. eta vs tors. theta energy: -5.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -361.482392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.482392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.482392 (E_RNA) where: Base-Base interactions energy: -115.155 where: short stacking energy: -93.842 Base-Backbone interact. energy: -1.017 local terms energy: -245.310450 where: bonds (distance) C4'-P energy: -65.952 bonds (distance) P-C4' energy: -91.999 flat angles C4'-P-C4' energy: -67.061 flat angles P-C4'-P energy: -52.056 tors. eta vs tors. theta energy: 31.758 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: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1506.701669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.701669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.701669 (E_RNA) where: Base-Base interactions energy: -1021.306 where: short stacking energy: -436.409 Base-Backbone interact. energy: -5.048 local terms energy: -480.348163 where: bonds (distance) C4'-P energy: -91.059 bonds (distance) P-C4' energy: -93.208 flat angles C4'-P-C4' energy: -102.068 flat angles P-C4'-P energy: -66.923 tors. eta vs tors. theta energy: -127.089 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: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1409.354522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.354522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.354522 (E_RNA) where: Base-Base interactions energy: -952.070 where: short stacking energy: -405.988 Base-Backbone interact. energy: 6.198 local terms energy: -463.482496 where: bonds (distance) C4'-P energy: -83.401 bonds (distance) P-C4' energy: -89.569 flat angles C4'-P-C4' energy: -110.170 flat angles P-C4'-P energy: -63.188 tors. eta vs tors. theta energy: -117.154 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: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1386.653433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.653433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.653433 (E_RNA) where: Base-Base interactions energy: -946.044 where: short stacking energy: -376.377 Base-Backbone interact. energy: 1.344 local terms energy: -441.952960 where: bonds (distance) C4'-P energy: -93.473 bonds (distance) P-C4' energy: -78.540 flat angles C4'-P-C4' energy: -100.995 flat angles P-C4'-P energy: -70.207 tors. eta vs tors. theta energy: -98.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1283.007571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.007571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.007571 (E_RNA) where: Base-Base interactions energy: -845.222 where: short stacking energy: -348.502 Base-Backbone interact. energy: -1.557 local terms energy: -436.228358 where: bonds (distance) C4'-P energy: -83.171 bonds (distance) P-C4' energy: -92.498 flat angles C4'-P-C4' energy: -103.283 flat angles P-C4'-P energy: -59.169 tors. eta vs tors. theta energy: -98.107 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: 5, replica: 8 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1052.997502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.997502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.997502 (E_RNA) where: Base-Base interactions energy: -667.459 where: short stacking energy: -291.587 Base-Backbone interact. energy: 0.128 local terms energy: -385.665830 where: bonds (distance) C4'-P energy: -77.494 bonds (distance) P-C4' energy: -88.687 flat angles C4'-P-C4' energy: -83.506 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: -77.758 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: 9 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -762.858392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.858392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.858392 (E_RNA) where: Base-Base interactions energy: -438.863 where: short stacking energy: -201.709 Base-Backbone interact. energy: 1.097 local terms energy: -325.092862 where: bonds (distance) C4'-P energy: -78.533 bonds (distance) P-C4' energy: -84.208 flat angles C4'-P-C4' energy: -83.347 flat angles P-C4'-P energy: -50.331 tors. eta vs tors. theta energy: -28.674 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: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -746.079493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.079493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.079493 (E_RNA) where: Base-Base interactions energy: -442.499 where: short stacking energy: -211.642 Base-Backbone interact. energy: -0.734 local terms energy: -302.845966 where: bonds (distance) C4'-P energy: -74.090 bonds (distance) P-C4' energy: -85.096 flat angles C4'-P-C4' energy: -78.119 flat angles P-C4'-P energy: -40.906 tors. eta vs tors. theta energy: -24.635 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: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -607.158407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.158407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.158407 (E_RNA) where: Base-Base interactions energy: -325.003 where: short stacking energy: -175.954 Base-Backbone interact. energy: -0.967 local terms energy: -281.187923 where: bonds (distance) C4'-P energy: -68.996 bonds (distance) P-C4' energy: -77.455 flat angles C4'-P-C4' energy: -71.130 flat angles P-C4'-P energy: -45.566 tors. eta vs tors. theta energy: -18.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -477.775769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.775769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.775769 (E_RNA) where: Base-Base interactions energy: -217.883 where: short stacking energy: -142.355 Base-Backbone interact. energy: 0.649 local terms energy: -260.541874 where: bonds (distance) C4'-P energy: -76.632 bonds (distance) P-C4' energy: -70.644 flat angles C4'-P-C4' energy: -68.107 flat angles P-C4'-P energy: -34.810 tors. eta vs tors. theta energy: -10.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -374.524497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.524497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.524497 (E_RNA) where: Base-Base interactions energy: -120.234 where: short stacking energy: -103.342 Base-Backbone interact. energy: -3.754 local terms energy: -250.535633 where: bonds (distance) C4'-P energy: -71.512 bonds (distance) P-C4' energy: -78.180 flat angles C4'-P-C4' energy: -59.571 flat angles P-C4'-P energy: -46.728 tors. eta vs tors. theta energy: 5.455 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: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1498.054473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.054473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.054473 (E_RNA) where: Base-Base interactions energy: -1000.783 where: short stacking energy: -443.698 Base-Backbone interact. energy: -2.208 local terms energy: -495.063475 where: bonds (distance) C4'-P energy: -91.423 bonds (distance) P-C4' energy: -94.377 flat angles C4'-P-C4' energy: -109.195 flat angles P-C4'-P energy: -63.057 tors. eta vs tors. theta energy: -137.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1402.260216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.260216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.260216 (E_RNA) where: Base-Base interactions energy: -933.695 where: short stacking energy: -418.715 Base-Backbone interact. energy: -2.682 local terms energy: -465.883747 where: bonds (distance) C4'-P energy: -96.090 bonds (distance) P-C4' energy: -92.103 flat angles C4'-P-C4' energy: -95.944 flat angles P-C4'-P energy: -63.794 tors. eta vs tors. theta energy: -117.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1360.120611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.120611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.120611 (E_RNA) where: Base-Base interactions energy: -936.489 where: short stacking energy: -363.327 Base-Backbone interact. energy: 0.829 local terms energy: -424.461332 where: bonds (distance) C4'-P energy: -81.357 bonds (distance) P-C4' energy: -85.242 flat angles C4'-P-C4' energy: -100.501 flat angles P-C4'-P energy: -59.704 tors. eta vs tors. theta energy: -97.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1258.253825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.253825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.253825 (E_RNA) where: Base-Base interactions energy: -868.883 where: short stacking energy: -356.747 Base-Backbone interact. energy: 0.819 local terms energy: -390.188991 where: bonds (distance) C4'-P energy: -71.629 bonds (distance) P-C4' energy: -89.979 flat angles C4'-P-C4' energy: -84.579 flat angles P-C4'-P energy: -56.714 tors. eta vs tors. theta energy: -87.288 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: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1066.716775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.716775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.716775 (E_RNA) where: Base-Base interactions energy: -677.437 where: short stacking energy: -310.108 Base-Backbone interact. energy: 2.121 local terms energy: -391.400147 where: bonds (distance) C4'-P energy: -82.331 bonds (distance) P-C4' energy: -85.352 flat angles C4'-P-C4' energy: -92.366 flat angles P-C4'-P energy: -59.547 tors. eta vs tors. theta energy: -71.803 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: 9 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -775.225724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.225724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.225724 (E_RNA) where: Base-Base interactions energy: -452.868 where: short stacking energy: -239.637 Base-Backbone interact. energy: -2.212 local terms energy: -320.146108 where: bonds (distance) C4'-P energy: -66.430 bonds (distance) P-C4' energy: -81.046 flat angles C4'-P-C4' energy: -78.422 flat angles P-C4'-P energy: -48.100 tors. eta vs tors. theta energy: -46.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -762.791142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.791142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.791142 (E_RNA) where: Base-Base interactions energy: -465.907 where: short stacking energy: -214.971 Base-Backbone interact. energy: -2.209 local terms energy: -294.675426 where: bonds (distance) C4'-P energy: -78.374 bonds (distance) P-C4' energy: -65.350 flat angles C4'-P-C4' energy: -78.345 flat angles P-C4'-P energy: -48.544 tors. eta vs tors. theta energy: -24.063 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: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -619.563742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.563742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.563742 (E_RNA) where: Base-Base interactions energy: -309.943 where: short stacking energy: -177.405 Base-Backbone interact. energy: -0.092 local terms energy: -309.528156 where: bonds (distance) C4'-P energy: -83.420 bonds (distance) P-C4' energy: -82.538 flat angles C4'-P-C4' energy: -71.073 flat angles P-C4'-P energy: -43.523 tors. eta vs tors. theta energy: -28.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -517.124830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.124830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.124830 (E_RNA) where: Base-Base interactions energy: -252.208 where: short stacking energy: -159.073 Base-Backbone interact. energy: -1.068 local terms energy: -263.849009 where: bonds (distance) C4'-P energy: -77.388 bonds (distance) P-C4' energy: -72.872 flat angles C4'-P-C4' energy: -59.448 flat angles P-C4'-P energy: -43.708 tors. eta vs tors. theta energy: -10.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -366.904420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.904420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.904420 (E_RNA) where: Base-Base interactions energy: -124.554 where: short stacking energy: -108.112 Base-Backbone interact. energy: -2.889 local terms energy: -239.461163 where: bonds (distance) C4'-P energy: -71.738 bonds (distance) P-C4' energy: -78.002 flat angles C4'-P-C4' energy: -61.134 flat angles P-C4'-P energy: -42.269 tors. eta vs tors. theta energy: 13.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1505.851072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.851072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.851072 (E_RNA) where: Base-Base interactions energy: -1001.866 where: short stacking energy: -441.970 Base-Backbone interact. energy: -4.384 local terms energy: -499.601045 where: bonds (distance) C4'-P energy: -88.881 bonds (distance) P-C4' energy: -96.042 flat angles C4'-P-C4' energy: -113.833 flat angles P-C4'-P energy: -68.463 tors. eta vs tors. theta energy: -132.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1379.964194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.964194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.964194 (E_RNA) where: Base-Base interactions energy: -935.979 where: short stacking energy: -420.204 Base-Backbone interact. energy: -5.470 local terms energy: -438.515593 where: bonds (distance) C4'-P energy: -80.982 bonds (distance) P-C4' energy: -81.317 flat angles C4'-P-C4' energy: -102.261 flat angles P-C4'-P energy: -61.928 tors. eta vs tors. theta energy: -112.028 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: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1389.807890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.807890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.807890 (E_RNA) where: Base-Base interactions energy: -940.898 where: short stacking energy: -407.474 Base-Backbone interact. energy: -1.451 local terms energy: -447.458553 where: bonds (distance) C4'-P energy: -86.364 bonds (distance) P-C4' energy: -82.742 flat angles C4'-P-C4' energy: -94.259 flat angles P-C4'-P energy: -74.260 tors. eta vs tors. theta energy: -109.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1232.710525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.710525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.710525 (E_RNA) where: Base-Base interactions energy: -835.959 where: short stacking energy: -320.493 Base-Backbone interact. energy: -0.331 local terms energy: -396.420778 where: bonds (distance) C4'-P energy: -77.625 bonds (distance) P-C4' energy: -86.191 flat angles C4'-P-C4' energy: -94.226 flat angles P-C4'-P energy: -56.368 tors. eta vs tors. theta energy: -82.010 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: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1119.877987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.877987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.877987 (E_RNA) where: Base-Base interactions energy: -717.559 where: short stacking energy: -332.688 Base-Backbone interact. energy: -1.783 local terms energy: -400.536228 where: bonds (distance) C4'-P energy: -70.583 bonds (distance) P-C4' energy: -90.374 flat angles C4'-P-C4' energy: -93.136 flat angles P-C4'-P energy: -48.084 tors. eta vs tors. theta energy: -98.358 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: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -798.621814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.621814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.621814 (E_RNA) where: Base-Base interactions energy: -446.411 where: short stacking energy: -204.993 Base-Backbone interact. energy: -0.100 local terms energy: -352.110604 where: bonds (distance) C4'-P energy: -89.027 bonds (distance) P-C4' energy: -84.578 flat angles C4'-P-C4' energy: -88.106 flat angles P-C4'-P energy: -55.893 tors. eta vs tors. theta energy: -34.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -710.616428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.616428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.616428 (E_RNA) where: Base-Base interactions energy: -404.793 where: short stacking energy: -181.804 Base-Backbone interact. energy: 2.667 local terms energy: -308.489798 where: bonds (distance) C4'-P energy: -76.149 bonds (distance) P-C4' energy: -80.281 flat angles C4'-P-C4' energy: -84.100 flat angles P-C4'-P energy: -49.150 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: 8, replica: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -613.269469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.269469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.269469 (E_RNA) where: Base-Base interactions energy: -309.478 where: short stacking energy: -169.343 Base-Backbone interact. energy: -1.687 local terms energy: -302.104597 where: bonds (distance) C4'-P energy: -80.702 bonds (distance) P-C4' energy: -84.706 flat angles C4'-P-C4' energy: -72.047 flat angles P-C4'-P energy: -54.857 tors. eta vs tors. theta energy: -9.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -488.314119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.314119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.314119 (E_RNA) where: Base-Base interactions energy: -218.665 where: short stacking energy: -157.770 Base-Backbone interact. energy: -2.030 local terms energy: -267.619969 where: bonds (distance) C4'-P energy: -73.200 bonds (distance) P-C4' energy: -79.629 flat angles C4'-P-C4' energy: -57.928 flat angles P-C4'-P energy: -51.097 tors. eta vs tors. theta energy: -5.765 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: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -367.958472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.958472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.958472 (E_RNA) where: Base-Base interactions energy: -128.341 where: short stacking energy: -106.746 Base-Backbone interact. energy: -1.050 local terms energy: -238.568358 where: bonds (distance) C4'-P energy: -72.040 bonds (distance) P-C4' energy: -78.637 flat angles C4'-P-C4' energy: -66.752 flat angles P-C4'-P energy: -36.113 tors. eta vs tors. theta energy: 14.973 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: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1508.390909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.390909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.390909 (E_RNA) where: Base-Base interactions energy: -1007.699 where: short stacking energy: -433.764 Base-Backbone interact. energy: -0.348 local terms energy: -500.344606 where: bonds (distance) C4'-P energy: -89.809 bonds (distance) P-C4' energy: -101.431 flat angles C4'-P-C4' energy: -103.275 flat angles P-C4'-P energy: -67.365 tors. eta vs tors. theta energy: -138.465 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: 6 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1392.633206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.633206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.633206 (E_RNA) where: Base-Base interactions energy: -933.238 where: short stacking energy: -394.056 Base-Backbone interact. energy: -1.249 local terms energy: -458.146598 where: bonds (distance) C4'-P energy: -95.997 bonds (distance) P-C4' energy: -81.705 flat angles C4'-P-C4' energy: -100.143 flat angles P-C4'-P energy: -73.667 tors. eta vs tors. theta energy: -106.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1377.622029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.622029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.622029 (E_RNA) where: Base-Base interactions energy: -928.828 where: short stacking energy: -395.768 Base-Backbone interact. energy: 4.018 local terms energy: -452.812313 where: bonds (distance) C4'-P energy: -92.956 bonds (distance) P-C4' energy: -90.510 flat angles C4'-P-C4' energy: -99.835 flat angles P-C4'-P energy: -55.813 tors. eta vs tors. theta energy: -113.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1261.944255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.944255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.944255 (E_RNA) where: Base-Base interactions energy: -873.455 where: short stacking energy: -379.111 Base-Backbone interact. energy: -1.590 local terms energy: -386.899327 where: bonds (distance) C4'-P energy: -74.400 bonds (distance) P-C4' energy: -75.293 flat angles C4'-P-C4' energy: -87.349 flat angles P-C4'-P energy: -46.848 tors. eta vs tors. theta energy: -103.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1096.859095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.859095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.859095 (E_RNA) where: Base-Base interactions energy: -720.353 where: short stacking energy: -328.525 Base-Backbone interact. energy: 3.030 local terms energy: -379.536440 where: bonds (distance) C4'-P energy: -65.655 bonds (distance) P-C4' energy: -81.455 flat angles C4'-P-C4' energy: -82.716 flat angles P-C4'-P energy: -58.266 tors. eta vs tors. theta energy: -91.446 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: 3 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -849.835567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.835567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.835567 (E_RNA) where: Base-Base interactions energy: -512.687 where: short stacking energy: -248.579 Base-Backbone interact. energy: -1.594 local terms energy: -335.554668 where: bonds (distance) C4'-P energy: -74.320 bonds (distance) P-C4' energy: -82.574 flat angles C4'-P-C4' energy: -72.266 flat angles P-C4'-P energy: -48.262 tors. eta vs tors. theta energy: -58.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -791.173264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.173264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.173264 (E_RNA) where: Base-Base interactions energy: -474.006 where: short stacking energy: -215.945 Base-Backbone interact. energy: -1.629 local terms energy: -315.537472 where: bonds (distance) C4'-P energy: -74.087 bonds (distance) P-C4' energy: -78.737 flat angles C4'-P-C4' energy: -75.290 flat angles P-C4'-P energy: -50.423 tors. eta vs tors. theta energy: -37.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -615.175278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.175278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.175278 (E_RNA) where: Base-Base interactions energy: -318.875 where: short stacking energy: -182.868 Base-Backbone interact. energy: -1.019 local terms energy: -295.281809 where: bonds (distance) C4'-P energy: -72.263 bonds (distance) P-C4' energy: -84.691 flat angles C4'-P-C4' energy: -72.560 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: -11.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -497.133780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.133780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.133780 (E_RNA) where: Base-Base interactions energy: -235.528 where: short stacking energy: -145.431 Base-Backbone interact. energy: 0.983 local terms energy: -262.588499 where: bonds (distance) C4'-P energy: -69.262 bonds (distance) P-C4' energy: -84.215 flat angles C4'-P-C4' energy: -60.219 flat angles P-C4'-P energy: -34.830 tors. eta vs tors. theta energy: -14.062 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: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -371.805322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.805322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.805322 (E_RNA) where: Base-Base interactions energy: -138.334 where: short stacking energy: -111.109 Base-Backbone interact. energy: -1.491 local terms energy: -231.979612 where: bonds (distance) C4'-P energy: -73.378 bonds (distance) P-C4' energy: -77.300 flat angles C4'-P-C4' energy: -50.963 flat angles P-C4'-P energy: -41.928 tors. eta vs tors. theta energy: 11.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1511.056617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.056617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.056617 (E_RNA) where: Base-Base interactions energy: -1021.327 where: short stacking energy: -442.518 Base-Backbone interact. energy: -0.973 local terms energy: -488.756201 where: bonds (distance) C4'-P energy: -92.666 bonds (distance) P-C4' energy: -97.921 flat angles C4'-P-C4' energy: -101.494 flat angles P-C4'-P energy: -72.000 tors. eta vs tors. theta energy: -124.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1466.027432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.027432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.027432 (E_RNA) where: Base-Base interactions energy: -1002.973 where: short stacking energy: -424.037 Base-Backbone interact. energy: -2.302 local terms energy: -460.752080 where: bonds (distance) C4'-P energy: -81.846 bonds (distance) P-C4' energy: -86.783 flat angles C4'-P-C4' energy: -99.459 flat angles P-C4'-P energy: -71.229 tors. eta vs tors. theta energy: -121.435 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: 3, replica: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1345.932742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.932742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.932742 (E_RNA) where: Base-Base interactions energy: -908.007 where: short stacking energy: -370.661 Base-Backbone interact. energy: -1.570 local terms energy: -436.355497 where: bonds (distance) C4'-P energy: -82.920 bonds (distance) P-C4' energy: -77.653 flat angles C4'-P-C4' energy: -99.265 flat angles P-C4'-P energy: -64.772 tors. eta vs tors. theta energy: -111.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1217.209734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.209734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.209734 (E_RNA) where: Base-Base interactions energy: -813.708 where: short stacking energy: -337.547 Base-Backbone interact. energy: -2.788 local terms energy: -400.714105 where: bonds (distance) C4'-P energy: -88.267 bonds (distance) P-C4' energy: -80.219 flat angles C4'-P-C4' energy: -95.793 flat angles P-C4'-P energy: -47.763 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: 5, replica: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1120.380569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.380569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.380569 (E_RNA) where: Base-Base interactions energy: -699.618 where: short stacking energy: -298.858 Base-Backbone interact. energy: 0.970 local terms energy: -421.732435 where: bonds (distance) C4'-P energy: -92.079 bonds (distance) P-C4' energy: -94.850 flat angles C4'-P-C4' energy: -84.690 flat angles P-C4'-P energy: -66.397 tors. eta vs tors. theta energy: -83.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -847.517250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.517250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.517250 (E_RNA) where: Base-Base interactions energy: -524.518 where: short stacking energy: -250.442 Base-Backbone interact. energy: -0.948 local terms energy: -322.051823 where: bonds (distance) C4'-P energy: -76.081 bonds (distance) P-C4' energy: -81.999 flat angles C4'-P-C4' energy: -78.454 flat angles P-C4'-P energy: -40.111 tors. eta vs tors. theta energy: -45.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -812.439592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.439592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.439592 (E_RNA) where: Base-Base interactions energy: -478.391 where: short stacking energy: -211.613 Base-Backbone interact. energy: 0.909 local terms energy: -334.958224 where: bonds (distance) C4'-P energy: -79.441 bonds (distance) P-C4' energy: -93.624 flat angles C4'-P-C4' energy: -73.353 flat angles P-C4'-P energy: -42.242 tors. eta vs tors. theta energy: -46.299 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: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -604.745416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.745416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.745416 (E_RNA) where: Base-Base interactions energy: -297.834 where: short stacking energy: -169.918 Base-Backbone interact. energy: 0.406 local terms energy: -307.317093 where: bonds (distance) C4'-P energy: -70.642 bonds (distance) P-C4' energy: -85.278 flat angles C4'-P-C4' energy: -75.562 flat angles P-C4'-P energy: -57.503 tors. eta vs tors. theta energy: -18.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -491.217479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.217479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.217479 (E_RNA) where: Base-Base interactions energy: -202.180 where: short stacking energy: -119.211 Base-Backbone interact. energy: 0.038 local terms energy: -289.076160 where: bonds (distance) C4'-P energy: -81.420 bonds (distance) P-C4' energy: -88.058 flat angles C4'-P-C4' energy: -59.784 flat angles P-C4'-P energy: -57.202 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -345.978582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.978582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.978582 (E_RNA) where: Base-Base interactions energy: -124.562 where: short stacking energy: -97.846 Base-Backbone interact. energy: -1.878 local terms energy: -219.538465 where: bonds (distance) C4'-P energy: -58.114 bonds (distance) P-C4' energy: -80.036 flat angles C4'-P-C4' energy: -49.618 flat angles P-C4'-P energy: -41.240 tors. eta vs tors. theta energy: 9.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1520.903940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.903940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.903940 (E_RNA) where: Base-Base interactions energy: -1030.036 where: short stacking energy: -456.271 Base-Backbone interact. energy: -1.668 local terms energy: -489.200672 where: bonds (distance) C4'-P energy: -79.519 bonds (distance) P-C4' energy: -99.664 flat angles C4'-P-C4' energy: -109.102 flat angles P-C4'-P energy: -69.188 tors. eta vs tors. theta energy: -131.727 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: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1484.418535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.418535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.418535 (E_RNA) where: Base-Base interactions energy: -1002.031 where: short stacking energy: -427.701 Base-Backbone interact. energy: -2.075 local terms energy: -480.311879 where: bonds (distance) C4'-P energy: -84.749 bonds (distance) P-C4' energy: -99.532 flat angles C4'-P-C4' energy: -104.135 flat angles P-C4'-P energy: -72.030 tors. eta vs tors. theta energy: -119.866 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: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1332.442251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.442251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.442251 (E_RNA) where: Base-Base interactions energy: -903.878 where: short stacking energy: -397.517 Base-Backbone interact. energy: -0.115 local terms energy: -428.449382 where: bonds (distance) C4'-P energy: -82.637 bonds (distance) P-C4' energy: -68.802 flat angles C4'-P-C4' energy: -98.314 flat angles P-C4'-P energy: -58.252 tors. eta vs tors. theta energy: -120.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1228.259952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.259952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.259952 (E_RNA) where: Base-Base interactions energy: -810.140 where: short stacking energy: -342.296 Base-Backbone interact. energy: -3.098 local terms energy: -415.022252 where: bonds (distance) C4'-P energy: -87.637 bonds (distance) P-C4' energy: -84.460 flat angles C4'-P-C4' energy: -95.459 flat angles P-C4'-P energy: -56.549 tors. eta vs tors. theta energy: -90.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1144.445224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.445224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.445224 (E_RNA) where: Base-Base interactions energy: -747.257 where: short stacking energy: -335.822 Base-Backbone interact. energy: -0.295 local terms energy: -396.893437 where: bonds (distance) C4'-P energy: -75.039 bonds (distance) P-C4' energy: -92.422 flat angles C4'-P-C4' energy: -84.843 flat angles P-C4'-P energy: -54.996 tors. eta vs tors. theta energy: -89.595 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: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -870.417247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.417247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.417247 (E_RNA) where: Base-Base interactions energy: -517.412 where: short stacking energy: -256.099 Base-Backbone interact. energy: -0.085 local terms energy: -352.920396 where: bonds (distance) C4'-P energy: -70.428 bonds (distance) P-C4' energy: -79.686 flat angles C4'-P-C4' energy: -85.956 flat angles P-C4'-P energy: -67.262 tors. eta vs tors. theta energy: -49.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -687.276188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.276188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.276188 (E_RNA) where: Base-Base interactions energy: -359.395 where: short stacking energy: -204.090 Base-Backbone interact. energy: -0.987 local terms energy: -326.894915 where: bonds (distance) C4'-P energy: -82.321 bonds (distance) P-C4' energy: -88.812 flat angles C4'-P-C4' energy: -80.659 flat angles P-C4'-P energy: -45.320 tors. eta vs tors. theta energy: -29.783 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: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -724.419355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.419355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.419355 (E_RNA) where: Base-Base interactions energy: -437.040 where: short stacking energy: -202.335 Base-Backbone interact. energy: -0.377 local terms energy: -287.001467 where: bonds (distance) C4'-P energy: -84.982 bonds (distance) P-C4' energy: -82.047 flat angles C4'-P-C4' energy: -62.846 flat angles P-C4'-P energy: -36.553 tors. eta vs tors. theta energy: -20.574 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: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -500.320211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.320211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.320211 (E_RNA) where: Base-Base interactions energy: -222.369 where: short stacking energy: -140.906 Base-Backbone interact. energy: -1.185 local terms energy: -276.766300 where: bonds (distance) C4'-P energy: -78.241 bonds (distance) P-C4' energy: -75.886 flat angles C4'-P-C4' energy: -74.411 flat angles P-C4'-P energy: -29.699 tors. eta vs tors. theta energy: -18.529 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: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -348.003030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.003030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.003030 (E_RNA) where: Base-Base interactions energy: -129.808 where: short stacking energy: -109.211 Base-Backbone interact. energy: -3.025 local terms energy: -215.169737 where: bonds (distance) C4'-P energy: -68.888 bonds (distance) P-C4' energy: -83.960 flat angles C4'-P-C4' energy: -56.798 flat angles P-C4'-P energy: -21.961 tors. eta vs tors. theta energy: 16.437 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: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1489.938851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.938851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.938851 (E_RNA) where: Base-Base interactions energy: -1000.910 where: short stacking energy: -432.718 Base-Backbone interact. energy: -3.933 local terms energy: -485.095764 where: bonds (distance) C4'-P energy: -84.289 bonds (distance) P-C4' energy: -100.624 flat angles C4'-P-C4' energy: -105.470 flat angles P-C4'-P energy: -68.171 tors. eta vs tors. theta energy: -126.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1492.070397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.070397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.070397 (E_RNA) where: Base-Base interactions energy: -1027.969 where: short stacking energy: -432.451 Base-Backbone interact. energy: 0.253 local terms energy: -464.353947 where: bonds (distance) C4'-P energy: -79.149 bonds (distance) P-C4' energy: -96.676 flat angles C4'-P-C4' energy: -103.269 flat angles P-C4'-P energy: -66.716 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: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1316.423196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.423196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.423196 (E_RNA) where: Base-Base interactions energy: -874.002 where: short stacking energy: -371.606 Base-Backbone interact. energy: -1.345 local terms energy: -441.075922 where: bonds (distance) C4'-P energy: -81.380 bonds (distance) P-C4' energy: -88.443 flat angles C4'-P-C4' energy: -101.438 flat angles P-C4'-P energy: -67.686 tors. eta vs tors. theta energy: -102.128 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: 2 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1269.052021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.052021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.052021 (E_RNA) where: Base-Base interactions energy: -864.140 where: short stacking energy: -369.263 Base-Backbone interact. energy: -3.801 local terms energy: -401.111400 where: bonds (distance) C4'-P energy: -63.902 bonds (distance) P-C4' energy: -80.998 flat angles C4'-P-C4' energy: -92.265 flat angles P-C4'-P energy: -65.245 tors. eta vs tors. theta energy: -98.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1130.006868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.006868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.006868 (E_RNA) where: Base-Base interactions energy: -723.164 where: short stacking energy: -334.881 Base-Backbone interact. energy: 1.679 local terms energy: -408.522038 where: bonds (distance) C4'-P energy: -92.589 bonds (distance) P-C4' energy: -81.849 flat angles C4'-P-C4' energy: -93.265 flat angles P-C4'-P energy: -52.772 tors. eta vs tors. theta energy: -88.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -847.444101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.444101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.444101 (E_RNA) where: Base-Base interactions energy: -511.301 where: short stacking energy: -247.833 Base-Backbone interact. energy: -1.690 local terms energy: -334.453644 where: bonds (distance) C4'-P energy: -63.612 bonds (distance) P-C4' energy: -79.563 flat angles C4'-P-C4' energy: -75.861 flat angles P-C4'-P energy: -57.311 tors. eta vs tors. theta energy: -58.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -726.393586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.393586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.393586 (E_RNA) where: Base-Base interactions energy: -404.256 where: short stacking energy: -208.750 Base-Backbone interact. energy: 1.103 local terms energy: -323.240892 where: bonds (distance) C4'-P energy: -84.407 bonds (distance) P-C4' energy: -87.009 flat angles C4'-P-C4' energy: -71.059 flat angles P-C4'-P energy: -37.973 tors. eta vs tors. theta energy: -42.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -692.377597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.377597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.377597 (E_RNA) where: Base-Base interactions energy: -389.045 where: short stacking energy: -191.213 Base-Backbone interact. energy: 4.403 local terms energy: -307.735083 where: bonds (distance) C4'-P energy: -80.528 bonds (distance) P-C4' energy: -75.706 flat angles C4'-P-C4' energy: -82.486 flat angles P-C4'-P energy: -47.445 tors. eta vs tors. theta energy: -21.570 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: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -509.791423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.791423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.791423 (E_RNA) where: Base-Base interactions energy: -255.034 where: short stacking energy: -180.490 Base-Backbone interact. energy: -1.663 local terms energy: -253.094361 where: bonds (distance) C4'-P energy: -71.469 bonds (distance) P-C4' energy: -71.530 flat angles C4'-P-C4' energy: -59.965 flat angles P-C4'-P energy: -35.738 tors. eta vs tors. theta energy: -14.392 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: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -356.638304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.638304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.638304 (E_RNA) where: Base-Base interactions energy: -105.403 where: short stacking energy: -89.626 Base-Backbone interact. energy: 0.385 local terms energy: -251.619651 where: bonds (distance) C4'-P energy: -69.116 bonds (distance) P-C4' energy: -77.883 flat angles C4'-P-C4' energy: -68.233 flat angles P-C4'-P energy: -49.223 tors. eta vs tors. theta energy: 12.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1533.519897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.519897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.519897 (E_RNA) where: Base-Base interactions energy: -1029.411 where: short stacking energy: -442.623 Base-Backbone interact. energy: -2.171 local terms energy: -501.937773 where: bonds (distance) C4'-P energy: -100.843 bonds (distance) P-C4' energy: -90.576 flat angles C4'-P-C4' energy: -103.369 flat angles P-C4'-P energy: -68.010 tors. eta vs tors. theta energy: -139.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1510.715012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.715012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.715012 (E_RNA) where: Base-Base interactions energy: -1047.498 where: short stacking energy: -409.272 Base-Backbone interact. energy: 4.789 local terms energy: -468.005156 where: bonds (distance) C4'-P energy: -97.043 bonds (distance) P-C4' energy: -81.515 flat angles C4'-P-C4' energy: -97.360 flat angles P-C4'-P energy: -71.007 tors. eta vs tors. theta energy: -121.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1328.030636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.030636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.030636 (E_RNA) where: Base-Base interactions energy: -898.763 where: short stacking energy: -375.726 Base-Backbone interact. energy: -0.598 local terms energy: -428.669821 where: bonds (distance) C4'-P energy: -78.570 bonds (distance) P-C4' energy: -96.752 flat angles C4'-P-C4' energy: -90.536 flat angles P-C4'-P energy: -54.883 tors. eta vs tors. theta energy: -107.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1244.529080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.529080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.529080 (E_RNA) where: Base-Base interactions energy: -830.374 where: short stacking energy: -360.165 Base-Backbone interact. energy: -4.136 local terms energy: -410.019036 where: bonds (distance) C4'-P energy: -85.010 bonds (distance) P-C4' energy: -90.545 flat angles C4'-P-C4' energy: -87.343 flat angles P-C4'-P energy: -53.623 tors. eta vs tors. theta energy: -93.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1168.184398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.184398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.184398 (E_RNA) where: Base-Base interactions energy: -751.573 where: short stacking energy: -330.294 Base-Backbone interact. energy: -1.090 local terms energy: -415.520830 where: bonds (distance) C4'-P energy: -91.797 bonds (distance) P-C4' energy: -88.158 flat angles C4'-P-C4' energy: -94.739 flat angles P-C4'-P energy: -52.116 tors. eta vs tors. theta energy: -88.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -978.045524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.045524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.045524 (E_RNA) where: Base-Base interactions energy: -620.511 where: short stacking energy: -268.234 Base-Backbone interact. energy: 0.921 local terms energy: -358.454908 where: bonds (distance) C4'-P energy: -75.263 bonds (distance) P-C4' energy: -84.041 flat angles C4'-P-C4' energy: -98.658 flat angles P-C4'-P energy: -46.170 tors. eta vs tors. theta energy: -54.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -693.157644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.157644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.157644 (E_RNA) where: Base-Base interactions energy: -387.156 where: short stacking energy: -184.786 Base-Backbone interact. energy: -0.307 local terms energy: -305.694689 where: bonds (distance) C4'-P energy: -90.827 bonds (distance) P-C4' energy: -83.816 flat angles C4'-P-C4' energy: -56.105 flat angles P-C4'-P energy: -51.887 tors. eta vs tors. theta energy: -23.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -618.240732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.240732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.240732 (E_RNA) where: Base-Base interactions energy: -327.699 where: short stacking energy: -175.925 Base-Backbone interact. energy: -2.430 local terms energy: -288.111848 where: bonds (distance) C4'-P energy: -69.904 bonds (distance) P-C4' energy: -84.235 flat angles C4'-P-C4' energy: -71.603 flat angles P-C4'-P energy: -43.877 tors. eta vs tors. theta energy: -18.492 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: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -474.234842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.234842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.234842 (E_RNA) where: Base-Base interactions energy: -206.155 where: short stacking energy: -143.951 Base-Backbone interact. energy: 4.474 local terms energy: -272.553594 where: bonds (distance) C4'-P energy: -76.015 bonds (distance) P-C4' energy: -83.277 flat angles C4'-P-C4' energy: -68.137 flat angles P-C4'-P energy: -41.914 tors. eta vs tors. theta energy: -3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -386.377546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.377546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.377546 (E_RNA) where: Base-Base interactions energy: -134.681 where: short stacking energy: -108.437 Base-Backbone interact. energy: 0.820 local terms energy: -252.516849 where: bonds (distance) C4'-P energy: -79.632 bonds (distance) P-C4' energy: -84.882 flat angles C4'-P-C4' energy: -51.901 flat angles P-C4'-P energy: -48.821 tors. eta vs tors. theta energy: 12.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1479.299506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.299506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.299506 (E_RNA) where: Base-Base interactions energy: -989.549 where: short stacking energy: -425.087 Base-Backbone interact. energy: -2.732 local terms energy: -487.018736 where: bonds (distance) C4'-P energy: -94.485 bonds (distance) P-C4' energy: -95.226 flat angles C4'-P-C4' energy: -95.283 flat angles P-C4'-P energy: -67.203 tors. eta vs tors. theta energy: -134.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1498.790151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.790151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.790151 (E_RNA) where: Base-Base interactions energy: -1021.333 where: short stacking energy: -414.858 Base-Backbone interact. energy: 0.651 local terms energy: -478.108045 where: bonds (distance) C4'-P energy: -90.124 bonds (distance) P-C4' energy: -104.186 flat angles C4'-P-C4' energy: -95.890 flat angles P-C4'-P energy: -71.493 tors. eta vs tors. theta energy: -116.415 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: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1341.008376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.008376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.008376 (E_RNA) where: Base-Base interactions energy: -902.040 where: short stacking energy: -374.038 Base-Backbone interact. energy: -2.226 local terms energy: -436.741865 where: bonds (distance) C4'-P energy: -86.453 bonds (distance) P-C4' energy: -82.856 flat angles C4'-P-C4' energy: -89.633 flat angles P-C4'-P energy: -65.746 tors. eta vs tors. theta energy: -112.054 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: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1230.969729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.969729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.969729 (E_RNA) where: Base-Base interactions energy: -797.675 where: short stacking energy: -362.586 Base-Backbone interact. energy: -1.610 local terms energy: -431.684684 where: bonds (distance) C4'-P energy: -88.637 bonds (distance) P-C4' energy: -86.110 flat angles C4'-P-C4' energy: -91.684 flat angles P-C4'-P energy: -69.254 tors. eta vs tors. theta energy: -96.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1203.032692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.032692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.032692 (E_RNA) where: Base-Base interactions energy: -792.333 where: short stacking energy: -335.822 Base-Backbone interact. energy: -1.322 local terms energy: -409.377837 where: bonds (distance) C4'-P energy: -83.262 bonds (distance) P-C4' energy: -80.499 flat angles C4'-P-C4' energy: -84.963 flat angles P-C4'-P energy: -59.887 tors. eta vs tors. theta energy: -100.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -983.875322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.875322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.875322 (E_RNA) where: Base-Base interactions energy: -631.740 where: short stacking energy: -252.283 Base-Backbone interact. energy: -3.156 local terms energy: -348.979354 where: bonds (distance) C4'-P energy: -85.449 bonds (distance) P-C4' energy: -84.607 flat angles C4'-P-C4' energy: -80.132 flat angles P-C4'-P energy: -49.131 tors. eta vs tors. theta energy: -49.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -644.539158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.539158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.539158 (E_RNA) where: Base-Base interactions energy: -366.729 where: short stacking energy: -194.341 Base-Backbone interact. energy: -0.578 local terms energy: -277.232553 where: bonds (distance) C4'-P energy: -66.839 bonds (distance) P-C4' energy: -81.242 flat angles C4'-P-C4' energy: -70.516 flat angles P-C4'-P energy: -44.311 tors. eta vs tors. theta energy: -14.324 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: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -589.500897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.500897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.500897 (E_RNA) where: Base-Base interactions energy: -295.860 where: short stacking energy: -160.311 Base-Backbone interact. energy: -0.034 local terms energy: -293.606865 where: bonds (distance) C4'-P energy: -68.800 bonds (distance) P-C4' energy: -77.467 flat angles C4'-P-C4' energy: -84.888 flat angles P-C4'-P energy: -55.627 tors. eta vs tors. theta energy: -6.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -451.371527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.371527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.371527 (E_RNA) where: Base-Base interactions energy: -205.062 where: short stacking energy: -118.841 Base-Backbone interact. energy: -1.952 local terms energy: -244.357190 where: bonds (distance) C4'-P energy: -78.944 bonds (distance) P-C4' energy: -80.596 flat angles C4'-P-C4' energy: -70.051 flat angles P-C4'-P energy: -19.019 tors. eta vs tors. theta energy: 4.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -357.870003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.870003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.870003 (E_RNA) where: Base-Base interactions energy: -128.438 where: short stacking energy: -93.524 Base-Backbone interact. energy: -1.642 local terms energy: -227.790893 where: bonds (distance) C4'-P energy: -76.150 bonds (distance) P-C4' energy: -74.066 flat angles C4'-P-C4' energy: -56.179 flat angles P-C4'-P energy: -30.144 tors. eta vs tors. theta energy: 8.748 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: 4 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1529.272198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.272198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.272198 (E_RNA) where: Base-Base interactions energy: -1072.160 where: short stacking energy: -446.950 Base-Backbone interact. energy: -2.001 local terms energy: -455.111673 where: bonds (distance) C4'-P energy: -93.599 bonds (distance) P-C4' energy: -87.531 flat angles C4'-P-C4' energy: -90.772 flat angles P-C4'-P energy: -61.550 tors. eta vs tors. theta energy: -121.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1451.575765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.575765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.575765 (E_RNA) where: Base-Base interactions energy: -978.227 where: short stacking energy: -426.610 Base-Backbone interact. energy: -1.860 local terms energy: -471.489035 where: bonds (distance) C4'-P energy: -81.045 bonds (distance) P-C4' energy: -93.338 flat angles C4'-P-C4' energy: -99.415 flat angles P-C4'-P energy: -73.747 tors. eta vs tors. theta energy: -123.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1314.273357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.273357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.273357 (E_RNA) where: Base-Base interactions energy: -870.208 where: short stacking energy: -373.457 Base-Backbone interact. energy: -1.609 local terms energy: -442.456248 where: bonds (distance) C4'-P energy: -95.323 bonds (distance) P-C4' energy: -86.914 flat angles C4'-P-C4' energy: -84.961 flat angles P-C4'-P energy: -64.120 tors. eta vs tors. theta energy: -111.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1218.654302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.654302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.654302 (E_RNA) where: Base-Base interactions energy: -771.132 where: short stacking energy: -370.318 Base-Backbone interact. energy: -0.157 local terms energy: -447.366169 where: bonds (distance) C4'-P energy: -81.154 bonds (distance) P-C4' energy: -87.787 flat angles C4'-P-C4' energy: -99.294 flat angles P-C4'-P energy: -67.153 tors. eta vs tors. theta energy: -111.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1149.825980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.825980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.825980 (E_RNA) where: Base-Base interactions energy: -761.762 where: short stacking energy: -313.704 Base-Backbone interact. energy: -0.822 local terms energy: -387.241998 where: bonds (distance) C4'-P energy: -77.652 bonds (distance) P-C4' energy: -82.277 flat angles C4'-P-C4' energy: -81.643 flat angles P-C4'-P energy: -63.205 tors. eta vs tors. theta energy: -82.465 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: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -961.257437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.257437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.257437 (E_RNA) where: Base-Base interactions energy: -618.461 where: short stacking energy: -278.542 Base-Backbone interact. energy: -1.719 local terms energy: -341.076937 where: bonds (distance) C4'-P energy: -78.779 bonds (distance) P-C4' energy: -96.930 flat angles C4'-P-C4' energy: -49.680 flat angles P-C4'-P energy: -54.869 tors. eta vs tors. theta energy: -60.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -692.919170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.919170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.919170 (E_RNA) where: Base-Base interactions energy: -390.360 where: short stacking energy: -213.044 Base-Backbone interact. energy: 1.876 local terms energy: -304.434467 where: bonds (distance) C4'-P energy: -75.657 bonds (distance) P-C4' energy: -70.578 flat angles C4'-P-C4' energy: -75.227 flat angles P-C4'-P energy: -52.719 tors. eta vs tors. theta energy: -30.254 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: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -598.459684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.459684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.459684 (E_RNA) where: Base-Base interactions energy: -310.685 where: short stacking energy: -157.988 Base-Backbone interact. energy: 4.829 local terms energy: -292.604518 where: bonds (distance) C4'-P energy: -82.719 bonds (distance) P-C4' energy: -86.629 flat angles C4'-P-C4' energy: -72.335 flat angles P-C4'-P energy: -38.491 tors. eta vs tors. theta energy: -12.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -451.404195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.404195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.404195 (E_RNA) where: Base-Base interactions energy: -204.381 where: short stacking energy: -131.745 Base-Backbone interact. energy: -3.006 local terms energy: -244.016602 where: bonds (distance) C4'-P energy: -69.931 bonds (distance) P-C4' energy: -86.427 flat angles C4'-P-C4' energy: -44.742 flat angles P-C4'-P energy: -41.725 tors. eta vs tors. theta energy: -1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -350.289047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.289047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.289047 (E_RNA) where: Base-Base interactions energy: -113.405 where: short stacking energy: -96.485 Base-Backbone interact. energy: 0.968 local terms energy: -237.852480 where: bonds (distance) C4'-P energy: -53.371 bonds (distance) P-C4' energy: -83.839 flat angles C4'-P-C4' energy: -55.572 flat angles P-C4'-P energy: -44.903 tors. eta vs tors. theta energy: -0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1540.300174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.300174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.300174 (E_RNA) where: Base-Base interactions energy: -1042.670 where: short stacking energy: -439.379 Base-Backbone interact. energy: -2.364 local terms energy: -495.265710 where: bonds (distance) C4'-P energy: -93.714 bonds (distance) P-C4' energy: -94.536 flat angles C4'-P-C4' energy: -106.529 flat angles P-C4'-P energy: -71.032 tors. eta vs tors. theta energy: -129.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1493.311543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.311543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.311543 (E_RNA) where: Base-Base interactions energy: -1019.728 where: short stacking energy: -438.242 Base-Backbone interact. energy: -0.968 local terms energy: -472.615651 where: bonds (distance) C4'-P energy: -100.701 bonds (distance) P-C4' energy: -87.760 flat angles C4'-P-C4' energy: -101.256 flat angles P-C4'-P energy: -52.411 tors. eta vs tors. theta energy: -130.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1318.099935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.099935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.099935 (E_RNA) where: Base-Base interactions energy: -897.150 where: short stacking energy: -359.834 Base-Backbone interact. energy: -1.294 local terms energy: -419.656290 where: bonds (distance) C4'-P energy: -80.148 bonds (distance) P-C4' energy: -87.718 flat angles C4'-P-C4' energy: -93.404 flat angles P-C4'-P energy: -61.008 tors. eta vs tors. theta energy: -97.377 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: 8 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1241.050672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.050672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.050672 (E_RNA) where: Base-Base interactions energy: -784.178 where: short stacking energy: -359.789 Base-Backbone interact. energy: 2.115 local terms energy: -458.988202 where: bonds (distance) C4'-P energy: -91.789 bonds (distance) P-C4' energy: -95.164 flat angles C4'-P-C4' energy: -99.358 flat angles P-C4'-P energy: -73.266 tors. eta vs tors. theta energy: -99.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1135.676291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.676291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.676291 (E_RNA) where: Base-Base interactions energy: -756.103 where: short stacking energy: -337.062 Base-Backbone interact. energy: -1.109 local terms energy: -378.464875 where: bonds (distance) C4'-P energy: -80.565 bonds (distance) P-C4' energy: -75.734 flat angles C4'-P-C4' energy: -86.145 flat angles P-C4'-P energy: -50.196 tors. eta vs tors. theta energy: -85.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1030.984040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.984040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.984040 (E_RNA) where: Base-Base interactions energy: -649.406 where: short stacking energy: -273.549 Base-Backbone interact. energy: -5.097 local terms energy: -376.480976 where: bonds (distance) C4'-P energy: -82.090 bonds (distance) P-C4' energy: -87.666 flat angles C4'-P-C4' energy: -79.235 flat angles P-C4'-P energy: -57.292 tors. eta vs tors. theta energy: -70.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -666.404879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.404879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.404879 (E_RNA) where: Base-Base interactions energy: -371.594 where: short stacking energy: -197.238 Base-Backbone interact. energy: -0.823 local terms energy: -293.987838 where: bonds (distance) C4'-P energy: -80.021 bonds (distance) P-C4' energy: -73.684 flat angles C4'-P-C4' energy: -92.523 flat angles P-C4'-P energy: -35.793 tors. eta vs tors. theta energy: -11.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -604.196549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.196549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.196549 (E_RNA) where: Base-Base interactions energy: -290.732 where: short stacking energy: -178.437 Base-Backbone interact. energy: -1.090 local terms energy: -312.374601 where: bonds (distance) C4'-P energy: -78.365 bonds (distance) P-C4' energy: -78.931 flat angles C4'-P-C4' energy: -84.901 flat angles P-C4'-P energy: -47.983 tors. eta vs tors. theta energy: -22.195 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: 1 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -502.832281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.832281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.832281 (E_RNA) where: Base-Base interactions energy: -229.540 where: short stacking energy: -143.685 Base-Backbone interact. energy: -0.414 local terms energy: -272.878158 where: bonds (distance) C4'-P energy: -79.225 bonds (distance) P-C4' energy: -69.704 flat angles C4'-P-C4' energy: -71.264 flat angles P-C4'-P energy: -43.806 tors. eta vs tors. theta energy: -8.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -384.481826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.481826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.481826 (E_RNA) where: Base-Base interactions energy: -142.179 where: short stacking energy: -103.008 Base-Backbone interact. energy: -4.661 local terms energy: -237.642157 where: bonds (distance) C4'-P energy: -54.194 bonds (distance) P-C4' energy: -89.767 flat angles C4'-P-C4' energy: -66.177 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: 18.568 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: 4 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1551.128604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.128604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.128604 (E_RNA) where: Base-Base interactions energy: -1075.077 where: short stacking energy: -435.070 Base-Backbone interact. energy: -2.911 local terms energy: -473.141134 where: bonds (distance) C4'-P energy: -79.116 bonds (distance) P-C4' energy: -95.822 flat angles C4'-P-C4' energy: -102.078 flat angles P-C4'-P energy: -69.614 tors. eta vs tors. theta energy: -126.511 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: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1475.366739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.366739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.366739 (E_RNA) where: Base-Base interactions energy: -999.511 where: short stacking energy: -430.388 Base-Backbone interact. energy: -1.771 local terms energy: -474.084466 where: bonds (distance) C4'-P energy: -87.300 bonds (distance) P-C4' energy: -87.551 flat angles C4'-P-C4' energy: -102.798 flat angles P-C4'-P energy: -63.857 tors. eta vs tors. theta energy: -132.577 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: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1344.178812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.178812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.178812 (E_RNA) where: Base-Base interactions energy: -907.493 where: short stacking energy: -365.259 Base-Backbone interact. energy: -2.795 local terms energy: -433.890720 where: bonds (distance) C4'-P energy: -86.705 bonds (distance) P-C4' energy: -77.536 flat angles C4'-P-C4' energy: -100.251 flat angles P-C4'-P energy: -55.259 tors. eta vs tors. theta energy: -114.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1207.401127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.401127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.401127 (E_RNA) where: Base-Base interactions energy: -776.927 where: short stacking energy: -365.057 Base-Backbone interact. energy: -0.042 local terms energy: -430.432655 where: bonds (distance) C4'-P energy: -83.451 bonds (distance) P-C4' energy: -102.892 flat angles C4'-P-C4' energy: -91.562 flat angles P-C4'-P energy: -61.367 tors. eta vs tors. theta energy: -91.160 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: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1073.472950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.472950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.472950 (E_RNA) where: Base-Base interactions energy: -707.128 where: short stacking energy: -329.083 Base-Backbone interact. energy: -3.167 local terms energy: -363.178496 where: bonds (distance) C4'-P energy: -73.722 bonds (distance) P-C4' energy: -77.446 flat angles C4'-P-C4' energy: -85.422 flat angles P-C4'-P energy: -53.114 tors. eta vs tors. theta energy: -73.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1107.009725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.009725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.009725 (E_RNA) where: Base-Base interactions energy: -739.810 where: short stacking energy: -316.186 Base-Backbone interact. energy: -1.154 local terms energy: -366.046026 where: bonds (distance) C4'-P energy: -72.584 bonds (distance) P-C4' energy: -76.348 flat angles C4'-P-C4' energy: -91.332 flat angles P-C4'-P energy: -46.419 tors. eta vs tors. theta energy: -79.364 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: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -701.752334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.752334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.752334 (E_RNA) where: Base-Base interactions energy: -389.746 where: short stacking energy: -191.330 Base-Backbone interact. energy: 1.085 local terms energy: -313.091928 where: bonds (distance) C4'-P energy: -63.902 bonds (distance) P-C4' energy: -88.929 flat angles C4'-P-C4' energy: -75.886 flat angles P-C4'-P energy: -48.951 tors. eta vs tors. theta energy: -35.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -575.408398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.408398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.408398 (E_RNA) where: Base-Base interactions energy: -273.678 where: short stacking energy: -158.759 Base-Backbone interact. energy: -0.261 local terms energy: -301.469361 where: bonds (distance) C4'-P energy: -78.466 bonds (distance) P-C4' energy: -79.600 flat angles C4'-P-C4' energy: -75.545 flat angles P-C4'-P energy: -48.023 tors. eta vs tors. theta energy: -19.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -499.978636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.978636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.978636 (E_RNA) where: Base-Base interactions energy: -221.049 where: short stacking energy: -144.752 Base-Backbone interact. energy: 0.382 local terms energy: -279.311721 where: bonds (distance) C4'-P energy: -74.481 bonds (distance) P-C4' energy: -82.325 flat angles C4'-P-C4' energy: -58.298 flat angles P-C4'-P energy: -47.507 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -387.288162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.288162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.288162 (E_RNA) where: Base-Base interactions energy: -155.346 where: short stacking energy: -94.576 Base-Backbone interact. energy: -0.199 local terms energy: -231.743380 where: bonds (distance) C4'-P energy: -91.051 bonds (distance) P-C4' energy: -70.421 flat angles C4'-P-C4' energy: -55.790 flat angles P-C4'-P energy: -32.165 tors. eta vs tors. theta energy: 17.685 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: 4 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1549.719953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.719953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.719953 (E_RNA) where: Base-Base interactions energy: -1061.585 where: short stacking energy: -437.269 Base-Backbone interact. energy: 1.438 local terms energy: -489.572123 where: bonds (distance) C4'-P energy: -89.466 bonds (distance) P-C4' energy: -95.315 flat angles C4'-P-C4' energy: -110.068 flat angles P-C4'-P energy: -73.117 tors. eta vs tors. theta energy: -121.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1450.330352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.330352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.330352 (E_RNA) where: Base-Base interactions energy: -974.962 where: short stacking energy: -419.938 Base-Backbone interact. energy: -0.191 local terms energy: -475.177154 where: bonds (distance) C4'-P energy: -94.465 bonds (distance) P-C4' energy: -83.959 flat angles C4'-P-C4' energy: -104.226 flat angles P-C4'-P energy: -69.612 tors. eta vs tors. theta energy: -122.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1303.596176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.596176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.596176 (E_RNA) where: Base-Base interactions energy: -891.064 where: short stacking energy: -376.180 Base-Backbone interact. energy: -2.605 local terms energy: -409.926382 where: bonds (distance) C4'-P energy: -84.293 bonds (distance) P-C4' energy: -89.156 flat angles C4'-P-C4' energy: -88.014 flat angles P-C4'-P energy: -49.004 tors. eta vs tors. theta energy: -99.460 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: 4, replica: 8 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1216.853457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.853457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.853457 (E_RNA) where: Base-Base interactions energy: -790.314 where: short stacking energy: -349.482 Base-Backbone interact. energy: 0.319 local terms energy: -426.858828 where: bonds (distance) C4'-P energy: -69.987 bonds (distance) P-C4' energy: -90.760 flat angles C4'-P-C4' energy: -100.029 flat angles P-C4'-P energy: -57.927 tors. eta vs tors. theta energy: -108.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1102.382200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.382200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.382200 (E_RNA) where: Base-Base interactions energy: -705.037 where: short stacking energy: -324.748 Base-Backbone interact. energy: -3.221 local terms energy: -394.124054 where: bonds (distance) C4'-P energy: -87.463 bonds (distance) P-C4' energy: -88.020 flat angles C4'-P-C4' energy: -83.488 flat angles P-C4'-P energy: -50.981 tors. eta vs tors. theta energy: -84.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1063.255493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.255493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.255493 (E_RNA) where: Base-Base interactions energy: -730.198 where: short stacking energy: -300.083 Base-Backbone interact. energy: -1.253 local terms energy: -331.803688 where: bonds (distance) C4'-P energy: -64.943 bonds (distance) P-C4' energy: -59.720 flat angles C4'-P-C4' energy: -88.345 flat angles P-C4'-P energy: -49.402 tors. eta vs tors. theta energy: -69.394 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: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -644.226606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.226606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.226606 (E_RNA) where: Base-Base interactions energy: -357.365 where: short stacking energy: -172.664 Base-Backbone interact. energy: 0.626 local terms energy: -287.487555 where: bonds (distance) C4'-P energy: -84.365 bonds (distance) P-C4' energy: -79.895 flat angles C4'-P-C4' energy: -65.607 flat angles P-C4'-P energy: -33.025 tors. eta vs tors. theta energy: -24.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -521.604422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.604422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.604422 (E_RNA) where: Base-Base interactions energy: -227.691 where: short stacking energy: -129.832 Base-Backbone interact. energy: -1.371 local terms energy: -292.542368 where: bonds (distance) C4'-P energy: -79.913 bonds (distance) P-C4' energy: -81.652 flat angles C4'-P-C4' energy: -60.133 flat angles P-C4'-P energy: -55.925 tors. eta vs tors. theta energy: -14.919 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: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -494.558685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.558685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.558685 (E_RNA) where: Base-Base interactions energy: -212.790 where: short stacking energy: -135.114 Base-Backbone interact. energy: 1.514 local terms energy: -283.283214 where: bonds (distance) C4'-P energy: -74.373 bonds (distance) P-C4' energy: -84.782 flat angles C4'-P-C4' energy: -76.749 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: 0.933 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: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -411.345738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.345738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.345738 (E_RNA) where: Base-Base interactions energy: -172.777 where: short stacking energy: -104.102 Base-Backbone interact. energy: 1.001 local terms energy: -239.570053 where: bonds (distance) C4'-P energy: -69.160 bonds (distance) P-C4' energy: -83.060 flat angles C4'-P-C4' energy: -60.950 flat angles P-C4'-P energy: -58.157 tors. eta vs tors. theta energy: 31.756 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: 4 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1551.773437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.773437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.773437 (E_RNA) where: Base-Base interactions energy: -1053.730 where: short stacking energy: -422.715 Base-Backbone interact. energy: -3.133 local terms energy: -494.910008 where: bonds (distance) C4'-P energy: -100.733 bonds (distance) P-C4' energy: -90.985 flat angles C4'-P-C4' energy: -98.370 flat angles P-C4'-P energy: -77.167 tors. eta vs tors. theta energy: -127.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1426.878576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.878576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.878576 (E_RNA) where: Base-Base interactions energy: -956.659 where: short stacking energy: -399.398 Base-Backbone interact. energy: -2.812 local terms energy: -467.407065 where: bonds (distance) C4'-P energy: -88.411 bonds (distance) P-C4' energy: -96.121 flat angles C4'-P-C4' energy: -105.907 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -115.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1287.068166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.068166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.068166 (E_RNA) where: Base-Base interactions energy: -851.037 where: short stacking energy: -368.723 Base-Backbone interact. energy: -1.822 local terms energy: -434.209938 where: bonds (distance) C4'-P energy: -83.811 bonds (distance) P-C4' energy: -91.387 flat angles C4'-P-C4' energy: -103.572 flat angles P-C4'-P energy: -55.752 tors. eta vs tors. theta energy: -99.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1233.304039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.304039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.304039 (E_RNA) where: Base-Base interactions energy: -804.012 where: short stacking energy: -359.221 Base-Backbone interact. energy: -0.493 local terms energy: -428.799599 where: bonds (distance) C4'-P energy: -79.601 bonds (distance) P-C4' energy: -76.824 flat angles C4'-P-C4' energy: -104.345 flat angles P-C4'-P energy: -62.213 tors. eta vs tors. theta energy: -105.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1191.324657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.324657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.324657 (E_RNA) where: Base-Base interactions energy: -784.094 where: short stacking energy: -352.466 Base-Backbone interact. energy: -1.576 local terms energy: -405.655389 where: bonds (distance) C4'-P energy: -91.180 bonds (distance) P-C4' energy: -82.558 flat angles C4'-P-C4' energy: -87.266 flat angles P-C4'-P energy: -52.027 tors. eta vs tors. theta energy: -92.624 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: 6, replica: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1034.626475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.626475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.626475 (E_RNA) where: Base-Base interactions energy: -688.508 where: short stacking energy: -287.391 Base-Backbone interact. energy: -1.472 local terms energy: -344.645790 where: bonds (distance) C4'-P energy: -79.725 bonds (distance) P-C4' energy: -85.088 flat angles C4'-P-C4' energy: -73.010 flat angles P-C4'-P energy: -49.261 tors. eta vs tors. theta energy: -57.562 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: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -767.111132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.111132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.111132 (E_RNA) where: Base-Base interactions energy: -447.200 where: short stacking energy: -235.270 Base-Backbone interact. energy: -0.377 local terms energy: -319.533642 where: bonds (distance) C4'-P energy: -75.565 bonds (distance) P-C4' energy: -78.848 flat angles C4'-P-C4' energy: -83.394 flat angles P-C4'-P energy: -51.419 tors. eta vs tors. theta energy: -30.309 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: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -527.106439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.106439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.106439 (E_RNA) where: Base-Base interactions energy: -227.697 where: short stacking energy: -128.993 Base-Backbone interact. energy: -1.388 local terms energy: -298.020823 where: bonds (distance) C4'-P energy: -90.676 bonds (distance) P-C4' energy: -63.067 flat angles C4'-P-C4' energy: -84.257 flat angles P-C4'-P energy: -56.592 tors. eta vs tors. theta energy: -3.428 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: 1 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -493.773642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.773642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.773642 (E_RNA) where: Base-Base interactions energy: -243.376 where: short stacking energy: -144.473 Base-Backbone interact. energy: 1.570 local terms energy: -251.967877 where: bonds (distance) C4'-P energy: -73.717 bonds (distance) P-C4' energy: -79.237 flat angles C4'-P-C4' energy: -56.507 flat angles P-C4'-P energy: -44.879 tors. eta vs tors. theta energy: 2.373 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: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -360.251445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.251445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.251445 (E_RNA) where: Base-Base interactions energy: -139.783 where: short stacking energy: -95.182 Base-Backbone interact. energy: 5.384 local terms energy: -225.852244 where: bonds (distance) C4'-P energy: -69.763 bonds (distance) P-C4' energy: -76.948 flat angles C4'-P-C4' energy: -63.073 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: 21.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1540.388367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.388367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.388367 (E_RNA) where: Base-Base interactions energy: -1048.943 where: short stacking energy: -449.136 Base-Backbone interact. energy: -2.017 local terms energy: -489.427914 where: bonds (distance) C4'-P energy: -91.889 bonds (distance) P-C4' energy: -91.932 flat angles C4'-P-C4' energy: -100.715 flat angles P-C4'-P energy: -73.981 tors. eta vs tors. theta energy: -130.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1446.373199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.373199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.373199 (E_RNA) where: Base-Base interactions energy: -1000.843 where: short stacking energy: -422.258 Base-Backbone interact. energy: -0.828 local terms energy: -444.702648 where: bonds (distance) C4'-P energy: -76.807 bonds (distance) P-C4' energy: -75.578 flat angles C4'-P-C4' energy: -107.474 flat angles P-C4'-P energy: -57.818 tors. eta vs tors. theta energy: -127.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1254.117667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.117667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.117667 (E_RNA) where: Base-Base interactions energy: -825.097 where: short stacking energy: -363.594 Base-Backbone interact. energy: -2.779 local terms energy: -426.241593 where: bonds (distance) C4'-P energy: -86.819 bonds (distance) P-C4' energy: -98.161 flat angles C4'-P-C4' energy: -88.763 flat angles P-C4'-P energy: -64.233 tors. eta vs tors. theta energy: -88.267 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: 8 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1236.685729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.685729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.685729 (E_RNA) where: Base-Base interactions energy: -808.181 where: short stacking energy: -369.243 Base-Backbone interact. energy: -0.356 local terms energy: -428.148744 where: bonds (distance) C4'-P energy: -78.523 bonds (distance) P-C4' energy: -90.030 flat angles C4'-P-C4' energy: -96.298 flat angles P-C4'-P energy: -51.488 tors. eta vs tors. theta energy: -111.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1183.789155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.789155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.789155 (E_RNA) where: Base-Base interactions energy: -786.997 where: short stacking energy: -354.571 Base-Backbone interact. energy: 0.182 local terms energy: -396.973583 where: bonds (distance) C4'-P energy: -75.862 bonds (distance) P-C4' energy: -77.942 flat angles C4'-P-C4' energy: -92.052 flat angles P-C4'-P energy: -55.195 tors. eta vs tors. theta energy: -95.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1057.398506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.398506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.398506 (E_RNA) where: Base-Base interactions energy: -681.601 where: short stacking energy: -311.984 Base-Backbone interact. energy: -2.359 local terms energy: -373.437908 where: bonds (distance) C4'-P energy: -80.540 bonds (distance) P-C4' energy: -86.591 flat angles C4'-P-C4' energy: -97.402 flat angles P-C4'-P energy: -36.974 tors. eta vs tors. theta energy: -71.931 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: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -782.133978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.133978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.133978 (E_RNA) where: Base-Base interactions energy: -469.677 where: short stacking energy: -247.974 Base-Backbone interact. energy: -2.842 local terms energy: -309.615166 where: bonds (distance) C4'-P energy: -89.310 bonds (distance) P-C4' energy: -81.373 flat angles C4'-P-C4' energy: -68.889 flat angles P-C4'-P energy: -35.337 tors. eta vs tors. theta energy: -34.707 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: 77 Temperature: 1.250000 Total energy: -524.997706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.997706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.997706 (E_RNA) where: Base-Base interactions energy: -242.276 where: short stacking energy: -149.154 Base-Backbone interact. energy: -0.966 local terms energy: -281.755256 where: bonds (distance) C4'-P energy: -65.577 bonds (distance) P-C4' energy: -78.695 flat angles C4'-P-C4' energy: -60.242 flat angles P-C4'-P energy: -53.084 tors. eta vs tors. theta energy: -24.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -509.283131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.283131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.283131 (E_RNA) where: Base-Base interactions energy: -239.345 where: short stacking energy: -148.948 Base-Backbone interact. energy: -1.475 local terms energy: -268.463295 where: bonds (distance) C4'-P energy: -69.848 bonds (distance) P-C4' energy: -76.688 flat angles C4'-P-C4' energy: -68.034 flat angles P-C4'-P energy: -38.643 tors. eta vs tors. theta energy: -15.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -355.079645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.079645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.079645 (E_RNA) where: Base-Base interactions energy: -116.272 where: short stacking energy: -74.729 Base-Backbone interact. energy: -1.517 local terms energy: -237.290678 where: bonds (distance) C4'-P energy: -59.406 bonds (distance) P-C4' energy: -88.656 flat angles C4'-P-C4' energy: -68.979 flat angles P-C4'-P energy: -30.837 tors. eta vs tors. theta energy: 10.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1538.835940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.835940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.835940 (E_RNA) where: Base-Base interactions energy: -1036.781 where: short stacking energy: -448.859 Base-Backbone interact. energy: -5.621 local terms energy: -496.434309 where: bonds (distance) C4'-P energy: -92.547 bonds (distance) P-C4' energy: -92.191 flat angles C4'-P-C4' energy: -105.377 flat angles P-C4'-P energy: -72.494 tors. eta vs tors. theta energy: -133.824 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: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1451.324355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.324355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.324355 (E_RNA) where: Base-Base interactions energy: -994.708 where: short stacking energy: -431.760 Base-Backbone interact. energy: -1.099 local terms energy: -455.517394 where: bonds (distance) C4'-P energy: -87.483 bonds (distance) P-C4' energy: -92.722 flat angles C4'-P-C4' energy: -95.835 flat angles P-C4'-P energy: -57.350 tors. eta vs tors. theta energy: -122.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1284.078188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.078188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.078188 (E_RNA) where: Base-Base interactions energy: -858.125 where: short stacking energy: -369.938 Base-Backbone interact. energy: -2.314 local terms energy: -423.639285 where: bonds (distance) C4'-P energy: -75.531 bonds (distance) P-C4' energy: -79.153 flat angles C4'-P-C4' energy: -99.619 flat angles P-C4'-P energy: -67.706 tors. eta vs tors. theta energy: -101.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1238.130949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.130949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.130949 (E_RNA) where: Base-Base interactions energy: -817.898 where: short stacking energy: -345.622 Base-Backbone interact. energy: 4.268 local terms energy: -424.501048 where: bonds (distance) C4'-P energy: -83.550 bonds (distance) P-C4' energy: -89.470 flat angles C4'-P-C4' energy: -90.116 flat angles P-C4'-P energy: -53.726 tors. eta vs tors. theta energy: -107.640 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: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1224.074762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.074762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.074762 (E_RNA) where: Base-Base interactions energy: -798.696 where: short stacking energy: -342.520 Base-Backbone interact. energy: -3.128 local terms energy: -422.250495 where: bonds (distance) C4'-P energy: -89.961 bonds (distance) P-C4' energy: -81.264 flat angles C4'-P-C4' energy: -92.470 flat angles P-C4'-P energy: -61.485 tors. eta vs tors. theta energy: -97.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1042.597468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.597468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.597468 (E_RNA) where: Base-Base interactions energy: -702.877 where: short stacking energy: -299.784 Base-Backbone interact. energy: -0.695 local terms energy: -339.025957 where: bonds (distance) C4'-P energy: -72.696 bonds (distance) P-C4' energy: -60.723 flat angles C4'-P-C4' energy: -79.552 flat angles P-C4'-P energy: -50.620 tors. eta vs tors. theta energy: -75.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -790.059096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.059096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.059096 (E_RNA) where: Base-Base interactions energy: -440.193 where: short stacking energy: -212.160 Base-Backbone interact. energy: -3.096 local terms energy: -346.769781 where: bonds (distance) C4'-P energy: -85.321 bonds (distance) P-C4' energy: -85.229 flat angles C4'-P-C4' energy: -81.808 flat angles P-C4'-P energy: -52.913 tors. eta vs tors. theta energy: -41.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -531.261591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.261591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.261591 (E_RNA) where: Base-Base interactions energy: -235.134 where: short stacking energy: -141.954 Base-Backbone interact. energy: 0.684 local terms energy: -296.811414 where: bonds (distance) C4'-P energy: -76.885 bonds (distance) P-C4' energy: -77.707 flat angles C4'-P-C4' energy: -78.796 flat angles P-C4'-P energy: -43.586 tors. eta vs tors. theta energy: -19.837 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: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -379.977936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.977936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.977936 (E_RNA) where: Base-Base interactions energy: -114.728 where: short stacking energy: -81.497 Base-Backbone interact. energy: -0.953 local terms energy: -264.297164 where: bonds (distance) C4'-P energy: -71.542 bonds (distance) P-C4' energy: -78.287 flat angles C4'-P-C4' energy: -69.307 flat angles P-C4'-P energy: -46.948 tors. eta vs tors. theta energy: 1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -444.023568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.023568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.023568 (E_RNA) where: Base-Base interactions energy: -181.367 where: short stacking energy: -83.933 Base-Backbone interact. energy: 0.347 local terms energy: -263.002907 where: bonds (distance) C4'-P energy: -68.994 bonds (distance) P-C4' energy: -84.410 flat angles C4'-P-C4' energy: -70.873 flat angles P-C4'-P energy: -56.219 tors. eta vs tors. theta energy: 17.494 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: 4 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1516.918197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.918197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.918197 (E_RNA) where: Base-Base interactions energy: -1034.654 where: short stacking energy: -438.766 Base-Backbone interact. energy: -0.513 local terms energy: -481.751359 where: bonds (distance) C4'-P energy: -93.495 bonds (distance) P-C4' energy: -93.542 flat angles C4'-P-C4' energy: -106.761 flat angles P-C4'-P energy: -70.135 tors. eta vs tors. theta energy: -117.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1470.717244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.717244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.717244 (E_RNA) where: Base-Base interactions energy: -996.830 where: short stacking energy: -428.523 Base-Backbone interact. energy: -0.542 local terms energy: -473.345406 where: bonds (distance) C4'-P energy: -94.536 bonds (distance) P-C4' energy: -85.044 flat angles C4'-P-C4' energy: -97.233 flat angles P-C4'-P energy: -75.665 tors. eta vs tors. theta energy: -120.867 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: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1276.827991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.827991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.827991 (E_RNA) where: Base-Base interactions energy: -831.123 where: short stacking energy: -366.388 Base-Backbone interact. energy: -1.740 local terms energy: -443.965410 where: bonds (distance) C4'-P energy: -84.491 bonds (distance) P-C4' energy: -96.033 flat angles C4'-P-C4' energy: -101.901 flat angles P-C4'-P energy: -62.505 tors. eta vs tors. theta energy: -99.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1287.716387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.716387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.716387 (E_RNA) where: Base-Base interactions energy: -870.649 where: short stacking energy: -359.885 Base-Backbone interact. energy: -0.881 local terms energy: -416.186810 where: bonds (distance) C4'-P energy: -86.776 bonds (distance) P-C4' energy: -83.746 flat angles C4'-P-C4' energy: -90.606 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: -99.210 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: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1177.195230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.195230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.195230 (E_RNA) where: Base-Base interactions energy: -799.806 where: short stacking energy: -331.258 Base-Backbone interact. energy: -0.332 local terms energy: -377.056979 where: bonds (distance) C4'-P energy: -76.309 bonds (distance) P-C4' energy: -83.098 flat angles C4'-P-C4' energy: -80.142 flat angles P-C4'-P energy: -58.703 tors. eta vs tors. theta energy: -78.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1055.299601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.299601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.299601 (E_RNA) where: Base-Base interactions energy: -674.034 where: short stacking energy: -290.701 Base-Backbone interact. energy: -3.943 local terms energy: -377.322114 where: bonds (distance) C4'-P energy: -83.509 bonds (distance) P-C4' energy: -95.168 flat angles C4'-P-C4' energy: -85.503 flat angles P-C4'-P energy: -50.029 tors. eta vs tors. theta energy: -63.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -838.942116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.942116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.942116 (E_RNA) where: Base-Base interactions energy: -523.179 where: short stacking energy: -237.311 Base-Backbone interact. energy: -1.296 local terms energy: -314.467146 where: bonds (distance) C4'-P energy: -59.399 bonds (distance) P-C4' energy: -74.863 flat angles C4'-P-C4' energy: -83.061 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: -56.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -525.503202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.503202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.503202 (E_RNA) where: Base-Base interactions energy: -256.512 where: short stacking energy: -148.193 Base-Backbone interact. energy: 0.729 local terms energy: -269.719391 where: bonds (distance) C4'-P energy: -80.218 bonds (distance) P-C4' energy: -79.897 flat angles C4'-P-C4' energy: -66.320 flat angles P-C4'-P energy: -38.603 tors. eta vs tors. theta energy: -4.681 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: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -387.768923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.768923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.768923 (E_RNA) where: Base-Base interactions energy: -136.799 where: short stacking energy: -98.781 Base-Backbone interact. energy: 0.137 local terms energy: -251.106824 where: bonds (distance) C4'-P energy: -71.003 bonds (distance) P-C4' energy: -93.128 flat angles C4'-P-C4' energy: -64.698 flat angles P-C4'-P energy: -30.550 tors. eta vs tors. theta energy: 8.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -483.335170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.335170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.335170 (E_RNA) where: Base-Base interactions energy: -220.547 where: short stacking energy: -130.452 Base-Backbone interact. energy: 0.315 local terms energy: -263.103828 where: bonds (distance) C4'-P energy: -73.772 bonds (distance) P-C4' energy: -77.199 flat angles C4'-P-C4' energy: -71.090 flat angles P-C4'-P energy: -40.234 tors. eta vs tors. theta energy: -0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1517.438900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.438900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.438900 (E_RNA) where: Base-Base interactions energy: -1037.217 where: short stacking energy: -422.548 Base-Backbone interact. energy: -0.938 local terms energy: -479.283817 where: bonds (distance) C4'-P energy: -95.803 bonds (distance) P-C4' energy: -89.859 flat angles C4'-P-C4' energy: -94.754 flat angles P-C4'-P energy: -75.035 tors. eta vs tors. theta energy: -123.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1454.980604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.980604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.980604 (E_RNA) where: Base-Base interactions energy: -973.592 where: short stacking energy: -412.389 Base-Backbone interact. energy: -3.685 local terms energy: -477.703576 where: bonds (distance) C4'-P energy: -93.101 bonds (distance) P-C4' energy: -95.520 flat angles C4'-P-C4' energy: -96.274 flat angles P-C4'-P energy: -67.793 tors. eta vs tors. theta energy: -125.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1301.324343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.324343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.324343 (E_RNA) where: Base-Base interactions energy: -845.585 where: short stacking energy: -350.732 Base-Backbone interact. energy: -1.450 local terms energy: -454.288424 where: bonds (distance) C4'-P energy: -88.527 bonds (distance) P-C4' energy: -89.289 flat angles C4'-P-C4' energy: -107.871 flat angles P-C4'-P energy: -78.362 tors. eta vs tors. theta energy: -90.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1213.533175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.533175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.533175 (E_RNA) where: Base-Base interactions energy: -804.066 where: short stacking energy: -354.207 Base-Backbone interact. energy: -1.291 local terms energy: -408.176197 where: bonds (distance) C4'-P energy: -82.622 bonds (distance) P-C4' energy: -80.262 flat angles C4'-P-C4' energy: -86.819 flat angles P-C4'-P energy: -62.510 tors. eta vs tors. theta energy: -95.963 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: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1204.614799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.614799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.614799 (E_RNA) where: Base-Base interactions energy: -798.941 where: short stacking energy: -343.696 Base-Backbone interact. energy: -0.982 local terms energy: -404.691694 where: bonds (distance) C4'-P energy: -85.956 bonds (distance) P-C4' energy: -75.039 flat angles C4'-P-C4' energy: -94.776 flat angles P-C4'-P energy: -55.195 tors. eta vs tors. theta energy: -93.725 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: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1089.082213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.082213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.082213 (E_RNA) where: Base-Base interactions energy: -719.573 where: short stacking energy: -322.615 Base-Backbone interact. energy: -1.597 local terms energy: -367.911585 where: bonds (distance) C4'-P energy: -80.533 bonds (distance) P-C4' energy: -73.724 flat angles C4'-P-C4' energy: -97.275 flat angles P-C4'-P energy: -44.522 tors. eta vs tors. theta energy: -71.858 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: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -842.192798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.192798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.192798 (E_RNA) where: Base-Base interactions energy: -494.092 where: short stacking energy: -226.883 Base-Backbone interact. energy: -2.664 local terms energy: -345.436129 where: bonds (distance) C4'-P energy: -79.602 bonds (distance) P-C4' energy: -77.570 flat angles C4'-P-C4' energy: -80.585 flat angles P-C4'-P energy: -54.486 tors. eta vs tors. theta energy: -53.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -541.069727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.069727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.069727 (E_RNA) where: Base-Base interactions energy: -241.973 where: short stacking energy: -144.921 Base-Backbone interact. energy: 0.610 local terms energy: -299.706744 where: bonds (distance) C4'-P energy: -76.292 bonds (distance) P-C4' energy: -81.706 flat angles C4'-P-C4' energy: -69.086 flat angles P-C4'-P energy: -51.038 tors. eta vs tors. theta energy: -21.584 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: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -500.782628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.782628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.782628 (E_RNA) where: Base-Base interactions energy: -221.359 where: short stacking energy: -139.365 Base-Backbone interact. energy: -1.258 local terms energy: -278.165319 where: bonds (distance) C4'-P energy: -65.064 bonds (distance) P-C4' energy: -81.936 flat angles C4'-P-C4' energy: -78.097 flat angles P-C4'-P energy: -45.948 tors. eta vs tors. theta energy: -7.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -376.400331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.400331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.400331 (E_RNA) where: Base-Base interactions energy: -136.922 where: short stacking energy: -90.838 Base-Backbone interact. energy: 2.062 local terms energy: -241.540434 where: bonds (distance) C4'-P energy: -77.870 bonds (distance) P-C4' energy: -80.737 flat angles C4'-P-C4' energy: -57.352 flat angles P-C4'-P energy: -38.321 tors. eta vs tors. theta energy: 12.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1517.838109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.838109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.838109 (E_RNA) where: Base-Base interactions energy: -1036.992 where: short stacking energy: -430.332 Base-Backbone interact. energy: -2.370 local terms energy: -478.476262 where: bonds (distance) C4'-P energy: -88.641 bonds (distance) P-C4' energy: -96.204 flat angles C4'-P-C4' energy: -100.261 flat angles P-C4'-P energy: -64.562 tors. eta vs tors. theta energy: -128.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1451.915133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.915133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.915133 (E_RNA) where: Base-Base interactions energy: -972.385 where: short stacking energy: -423.808 Base-Backbone interact. energy: -1.753 local terms energy: -477.777326 where: bonds (distance) C4'-P energy: -90.599 bonds (distance) P-C4' energy: -93.061 flat angles C4'-P-C4' energy: -96.177 flat angles P-C4'-P energy: -71.782 tors. eta vs tors. theta energy: -126.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1306.056616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.056616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.056616 (E_RNA) where: Base-Base interactions energy: -876.781 where: short stacking energy: -366.701 Base-Backbone interact. energy: -1.452 local terms energy: -427.823520 where: bonds (distance) C4'-P energy: -84.990 bonds (distance) P-C4' energy: -70.855 flat angles C4'-P-C4' energy: -93.410 flat angles P-C4'-P energy: -67.904 tors. eta vs tors. theta energy: -110.664 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: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1249.871237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.871237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.871237 (E_RNA) where: Base-Base interactions energy: -846.032 where: short stacking energy: -351.378 Base-Backbone interact. energy: 0.198 local terms energy: -404.036601 where: bonds (distance) C4'-P energy: -62.292 bonds (distance) P-C4' energy: -86.716 flat angles C4'-P-C4' energy: -91.768 flat angles P-C4'-P energy: -63.389 tors. eta vs tors. theta energy: -99.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1151.824234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.824234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.824234 (E_RNA) where: Base-Base interactions energy: -759.309 where: short stacking energy: -329.042 Base-Backbone interact. energy: -0.715 local terms energy: -391.800576 where: bonds (distance) C4'-P energy: -85.563 bonds (distance) P-C4' energy: -73.366 flat angles C4'-P-C4' energy: -91.747 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -83.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1048.062541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.062541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.062541 (E_RNA) where: Base-Base interactions energy: -696.148 where: short stacking energy: -311.838 Base-Backbone interact. energy: -1.458 local terms energy: -350.456832 where: bonds (distance) C4'-P energy: -71.883 bonds (distance) P-C4' energy: -81.341 flat angles C4'-P-C4' energy: -87.963 flat angles P-C4'-P energy: -48.191 tors. eta vs tors. theta energy: -61.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -828.741125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.741125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.741125 (E_RNA) where: Base-Base interactions energy: -489.842 where: short stacking energy: -271.189 Base-Backbone interact. energy: 0.742 local terms energy: -339.641826 where: bonds (distance) C4'-P energy: -85.022 bonds (distance) P-C4' energy: -72.575 flat angles C4'-P-C4' energy: -76.027 flat angles P-C4'-P energy: -44.876 tors. eta vs tors. theta energy: -61.141 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: 81 Temperature: 1.250000 Total energy: -524.746363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.746363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.746363 (E_RNA) where: Base-Base interactions energy: -244.426 where: short stacking energy: -165.883 Base-Backbone interact. energy: -1.132 local terms energy: -279.188041 where: bonds (distance) C4'-P energy: -78.694 bonds (distance) P-C4' energy: -74.763 flat angles C4'-P-C4' energy: -71.696 flat angles P-C4'-P energy: -47.487 tors. eta vs tors. theta energy: -6.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -459.316867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.316867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.316867 (E_RNA) where: Base-Base interactions energy: -233.506 where: short stacking energy: -124.422 Base-Backbone interact. energy: -0.328 local terms energy: -225.482760 where: bonds (distance) C4'-P energy: -60.496 bonds (distance) P-C4' energy: -74.319 flat angles C4'-P-C4' energy: -56.896 flat angles P-C4'-P energy: -32.811 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -374.520192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.520192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.520192 (E_RNA) where: Base-Base interactions energy: -129.524 where: short stacking energy: -109.256 Base-Backbone interact. energy: 3.956 local terms energy: -248.952494 where: bonds (distance) C4'-P energy: -84.589 bonds (distance) P-C4' energy: -70.528 flat angles C4'-P-C4' energy: -66.122 flat angles P-C4'-P energy: -39.154 tors. eta vs tors. theta energy: 11.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1544.156573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.156573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.156573 (E_RNA) where: Base-Base interactions energy: -1077.511 where: short stacking energy: -434.198 Base-Backbone interact. energy: -0.204 local terms energy: -466.441277 where: bonds (distance) C4'-P energy: -87.760 bonds (distance) P-C4' energy: -91.343 flat angles C4'-P-C4' energy: -105.648 flat angles P-C4'-P energy: -63.604 tors. eta vs tors. theta energy: -118.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1456.580141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.580141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.580141 (E_RNA) where: Base-Base interactions energy: -1006.243 where: short stacking energy: -443.000 Base-Backbone interact. energy: -2.300 local terms energy: -448.036881 where: bonds (distance) C4'-P energy: -86.489 bonds (distance) P-C4' energy: -92.080 flat angles C4'-P-C4' energy: -95.262 flat angles P-C4'-P energy: -49.477 tors. eta vs tors. theta energy: -124.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1328.050599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.050599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.050599 (E_RNA) where: Base-Base interactions energy: -892.639 where: short stacking energy: -377.774 Base-Backbone interact. energy: -2.773 local terms energy: -432.638257 where: bonds (distance) C4'-P energy: -84.072 bonds (distance) P-C4' energy: -93.037 flat angles C4'-P-C4' energy: -99.589 flat angles P-C4'-P energy: -41.201 tors. eta vs tors. theta energy: -114.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1270.043061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.043061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.043061 (E_RNA) where: Base-Base interactions energy: -828.952 where: short stacking energy: -336.688 Base-Backbone interact. energy: -2.586 local terms energy: -438.504659 where: bonds (distance) C4'-P energy: -102.580 bonds (distance) P-C4' energy: -93.054 flat angles C4'-P-C4' energy: -93.622 flat angles P-C4'-P energy: -53.080 tors. eta vs tors. theta energy: -96.168 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: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1208.758993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.758993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.758993 (E_RNA) where: Base-Base interactions energy: -773.779 where: short stacking energy: -361.471 Base-Backbone interact. energy: 0.503 local terms energy: -435.482611 where: bonds (distance) C4'-P energy: -67.578 bonds (distance) P-C4' energy: -96.266 flat angles C4'-P-C4' energy: -96.402 flat angles P-C4'-P energy: -60.570 tors. eta vs tors. theta energy: -114.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -994.948896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.948896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.948896 (E_RNA) where: Base-Base interactions energy: -632.862 where: short stacking energy: -278.262 Base-Backbone interact. energy: -0.640 local terms energy: -361.446865 where: bonds (distance) C4'-P energy: -83.740 bonds (distance) P-C4' energy: -82.782 flat angles C4'-P-C4' energy: -76.575 flat angles P-C4'-P energy: -53.644 tors. eta vs tors. theta energy: -64.705 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: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -847.121650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.121650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.121650 (E_RNA) where: Base-Base interactions energy: -529.762 where: short stacking energy: -244.961 Base-Backbone interact. energy: -0.516 local terms energy: -316.844118 where: bonds (distance) C4'-P energy: -72.964 bonds (distance) P-C4' energy: -80.758 flat angles C4'-P-C4' energy: -80.998 flat angles P-C4'-P energy: -42.072 tors. eta vs tors. theta energy: -40.053 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: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -546.814805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.814805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.814805 (E_RNA) where: Base-Base interactions energy: -262.147 where: short stacking energy: -161.862 Base-Backbone interact. energy: -3.247 local terms energy: -281.420800 where: bonds (distance) C4'-P energy: -71.822 bonds (distance) P-C4' energy: -69.432 flat angles C4'-P-C4' energy: -79.152 flat angles P-C4'-P energy: -41.801 tors. eta vs tors. theta energy: -19.214 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: 82 Temperature: 1.300000 Total energy: -419.732303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.732303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.732303 (E_RNA) where: Base-Base interactions energy: -169.438 where: short stacking energy: -115.869 Base-Backbone interact. energy: -1.665 local terms energy: -248.628935 where: bonds (distance) C4'-P energy: -60.175 bonds (distance) P-C4' energy: -90.136 flat angles C4'-P-C4' energy: -64.655 flat angles P-C4'-P energy: -38.282 tors. eta vs tors. theta energy: 4.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -349.170499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.170499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.170499 (E_RNA) where: Base-Base interactions energy: -116.917 where: short stacking energy: -99.542 Base-Backbone interact. energy: 0.314 local terms energy: -232.567338 where: bonds (distance) C4'-P energy: -71.723 bonds (distance) P-C4' energy: -71.937 flat angles C4'-P-C4' energy: -58.378 flat angles P-C4'-P energy: -47.274 tors. eta vs tors. theta energy: 16.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1516.948173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.948173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.948173 (E_RNA) where: Base-Base interactions energy: -1056.176 where: short stacking energy: -432.331 Base-Backbone interact. energy: -3.413 local terms energy: -457.358546 where: bonds (distance) C4'-P energy: -85.204 bonds (distance) P-C4' energy: -85.304 flat angles C4'-P-C4' energy: -93.094 flat angles P-C4'-P energy: -67.296 tors. eta vs tors. theta energy: -126.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1493.561538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.561538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.561538 (E_RNA) where: Base-Base interactions energy: -1015.081 where: short stacking energy: -436.151 Base-Backbone interact. energy: -1.850 local terms energy: -476.630148 where: bonds (distance) C4'-P energy: -85.838 bonds (distance) P-C4' energy: -99.739 flat angles C4'-P-C4' energy: -110.122 flat angles P-C4'-P energy: -56.051 tors. eta vs tors. theta energy: -124.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1326.879177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.879177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.879177 (E_RNA) where: Base-Base interactions energy: -909.856 where: short stacking energy: -377.244 Base-Backbone interact. energy: -1.212 local terms energy: -415.811318 where: bonds (distance) C4'-P energy: -76.515 bonds (distance) P-C4' energy: -83.399 flat angles C4'-P-C4' energy: -87.840 flat angles P-C4'-P energy: -56.812 tors. eta vs tors. theta energy: -111.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1305.175973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.175973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.175973 (E_RNA) where: Base-Base interactions energy: -879.675 where: short stacking energy: -376.146 Base-Backbone interact. energy: -1.639 local terms energy: -423.861520 where: bonds (distance) C4'-P energy: -78.838 bonds (distance) P-C4' energy: -92.890 flat angles C4'-P-C4' energy: -89.417 flat angles P-C4'-P energy: -65.884 tors. eta vs tors. theta energy: -96.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1177.411855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.411855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.411855 (E_RNA) where: Base-Base interactions energy: -775.662 where: short stacking energy: -352.696 Base-Backbone interact. energy: -0.520 local terms energy: -401.230230 where: bonds (distance) C4'-P energy: -73.642 bonds (distance) P-C4' energy: -82.893 flat angles C4'-P-C4' energy: -101.009 flat angles P-C4'-P energy: -50.861 tors. eta vs tors. theta energy: -92.824 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: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -920.507025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.507025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.507025 (E_RNA) where: Base-Base interactions energy: -593.728 where: short stacking energy: -255.564 Base-Backbone interact. energy: -0.417 local terms energy: -326.362190 where: bonds (distance) C4'-P energy: -82.331 bonds (distance) P-C4' energy: -78.489 flat angles C4'-P-C4' energy: -79.884 flat angles P-C4'-P energy: -46.573 tors. eta vs tors. theta energy: -39.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -809.653004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.653004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.653004 (E_RNA) where: Base-Base interactions energy: -476.117 where: short stacking energy: -233.896 Base-Backbone interact. energy: -0.613 local terms energy: -332.923709 where: bonds (distance) C4'-P energy: -78.441 bonds (distance) P-C4' energy: -82.985 flat angles C4'-P-C4' energy: -89.934 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: -31.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -507.301740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.301740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.301740 (E_RNA) where: Base-Base interactions energy: -221.314 where: short stacking energy: -138.760 Base-Backbone interact. energy: -1.044 local terms energy: -284.944439 where: bonds (distance) C4'-P energy: -66.806 bonds (distance) P-C4' energy: -81.880 flat angles C4'-P-C4' energy: -80.309 flat angles P-C4'-P energy: -48.278 tors. eta vs tors. theta energy: -7.671 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: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -477.896807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.896807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.896807 (E_RNA) where: Base-Base interactions energy: -221.719 where: short stacking energy: -136.875 Base-Backbone interact. energy: -3.273 local terms energy: -252.905096 where: bonds (distance) C4'-P energy: -61.606 bonds (distance) P-C4' energy: -78.446 flat angles C4'-P-C4' energy: -46.598 flat angles P-C4'-P energy: -52.249 tors. eta vs tors. theta energy: -14.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -372.734144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.734144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.734144 (E_RNA) where: Base-Base interactions energy: -138.808 where: short stacking energy: -111.334 Base-Backbone interact. energy: 2.240 local terms energy: -236.165438 where: bonds (distance) C4'-P energy: -72.385 bonds (distance) P-C4' energy: -92.220 flat angles C4'-P-C4' energy: -56.646 flat angles P-C4'-P energy: -29.716 tors. eta vs tors. theta energy: 14.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1533.525293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.525293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.525293 (E_RNA) where: Base-Base interactions energy: -1059.529 where: short stacking energy: -420.735 Base-Backbone interact. energy: -2.146 local terms energy: -471.849991 where: bonds (distance) C4'-P energy: -87.326 bonds (distance) P-C4' energy: -86.801 flat angles C4'-P-C4' energy: -102.910 flat angles P-C4'-P energy: -77.842 tors. eta vs tors. theta energy: -116.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1476.729373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.729373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.729373 (E_RNA) where: Base-Base interactions energy: -1004.625 where: short stacking energy: -422.893 Base-Backbone interact. energy: -0.368 local terms energy: -471.736351 where: bonds (distance) C4'-P energy: -90.682 bonds (distance) P-C4' energy: -89.553 flat angles C4'-P-C4' energy: -103.272 flat angles P-C4'-P energy: -73.747 tors. eta vs tors. theta energy: -114.482 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: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1346.245085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.245085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.245085 (E_RNA) where: Base-Base interactions energy: -903.094 where: short stacking energy: -354.509 Base-Backbone interact. energy: -1.911 local terms energy: -441.240625 where: bonds (distance) C4'-P energy: -93.003 bonds (distance) P-C4' energy: -88.439 flat angles C4'-P-C4' energy: -91.779 flat angles P-C4'-P energy: -71.308 tors. eta vs tors. theta energy: -96.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1289.137437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.137437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.137437 (E_RNA) where: Base-Base interactions energy: -862.709 where: short stacking energy: -364.540 Base-Backbone interact. energy: -3.684 local terms energy: -422.744683 where: bonds (distance) C4'-P energy: -85.983 bonds (distance) P-C4' energy: -83.754 flat angles C4'-P-C4' energy: -90.250 flat angles P-C4'-P energy: -53.546 tors. eta vs tors. theta energy: -109.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1169.603964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.603964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.603964 (E_RNA) where: Base-Base interactions energy: -786.196 where: short stacking energy: -353.202 Base-Backbone interact. energy: 0.602 local terms energy: -384.010390 where: bonds (distance) C4'-P energy: -84.405 bonds (distance) P-C4' energy: -72.626 flat angles C4'-P-C4' energy: -87.821 flat angles P-C4'-P energy: -42.430 tors. eta vs tors. theta energy: -96.729 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: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -957.674594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.674594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.674594 (E_RNA) where: Base-Base interactions energy: -596.908 where: short stacking energy: -264.656 Base-Backbone interact. energy: -1.742 local terms energy: -359.025302 where: bonds (distance) C4'-P energy: -79.393 bonds (distance) P-C4' energy: -81.007 flat angles C4'-P-C4' energy: -75.649 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -70.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -848.405292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.405292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.405292 (E_RNA) where: Base-Base interactions energy: -497.754 where: short stacking energy: -228.087 Base-Backbone interact. energy: 3.240 local terms energy: -353.890551 where: bonds (distance) C4'-P energy: -78.282 bonds (distance) P-C4' energy: -91.900 flat angles C4'-P-C4' energy: -81.849 flat angles P-C4'-P energy: -56.647 tors. eta vs tors. theta energy: -45.213 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: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -545.702898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.702898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.702898 (E_RNA) where: Base-Base interactions energy: -270.070 where: short stacking energy: -159.370 Base-Backbone interact. energy: 1.552 local terms energy: -277.184385 where: bonds (distance) C4'-P energy: -62.075 bonds (distance) P-C4' energy: -74.473 flat angles C4'-P-C4' energy: -77.577 flat angles P-C4'-P energy: -54.172 tors. eta vs tors. theta energy: -8.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -521.071203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.071203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.071203 (E_RNA) where: Base-Base interactions energy: -237.494 where: short stacking energy: -158.766 Base-Backbone interact. energy: 4.784 local terms energy: -288.360525 where: bonds (distance) C4'-P energy: -70.852 bonds (distance) P-C4' energy: -88.471 flat angles C4'-P-C4' energy: -73.022 flat angles P-C4'-P energy: -37.619 tors. eta vs tors. theta energy: -18.397 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: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -375.358457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.358457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.358457 (E_RNA) where: Base-Base interactions energy: -121.753 where: short stacking energy: -89.040 Base-Backbone interact. energy: -1.242 local terms energy: -252.363189 where: bonds (distance) C4'-P energy: -68.531 bonds (distance) P-C4' energy: -80.579 flat angles C4'-P-C4' energy: -72.120 flat angles P-C4'-P energy: -47.812 tors. eta vs tors. theta energy: 16.678 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: 4 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1531.003705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.003705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.003705 (E_RNA) where: Base-Base interactions energy: -1075.906 where: short stacking energy: -440.907 Base-Backbone interact. energy: -3.890 local terms energy: -451.207154 where: bonds (distance) C4'-P energy: -91.001 bonds (distance) P-C4' energy: -81.574 flat angles C4'-P-C4' energy: -100.567 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -122.481 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: 2, replica: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1478.010834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.010834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.010834 (E_RNA) where: Base-Base interactions energy: -1006.371 where: short stacking energy: -427.468 Base-Backbone interact. energy: -2.649 local terms energy: -468.991745 where: bonds (distance) C4'-P energy: -85.145 bonds (distance) P-C4' energy: -86.720 flat angles C4'-P-C4' energy: -100.314 flat angles P-C4'-P energy: -67.600 tors. eta vs tors. theta energy: -129.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1328.996643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.996643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.996643 (E_RNA) where: Base-Base interactions energy: -891.611 where: short stacking energy: -381.247 Base-Backbone interact. energy: -2.290 local terms energy: -435.096301 where: bonds (distance) C4'-P energy: -84.063 bonds (distance) P-C4' energy: -86.922 flat angles C4'-P-C4' energy: -93.723 flat angles P-C4'-P energy: -67.851 tors. eta vs tors. theta energy: -102.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1235.749290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.749290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.749290 (E_RNA) where: Base-Base interactions energy: -815.539 where: short stacking energy: -368.265 Base-Backbone interact. energy: -0.044 local terms energy: -420.167051 where: bonds (distance) C4'-P energy: -85.468 bonds (distance) P-C4' energy: -75.559 flat angles C4'-P-C4' energy: -94.838 flat angles P-C4'-P energy: -59.724 tors. eta vs tors. theta energy: -104.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1178.327043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.327043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.327043 (E_RNA) where: Base-Base interactions energy: -761.794 where: short stacking energy: -361.123 Base-Backbone interact. energy: -1.944 local terms energy: -414.588604 where: bonds (distance) C4'-P energy: -79.501 bonds (distance) P-C4' energy: -90.647 flat angles C4'-P-C4' energy: -88.622 flat angles P-C4'-P energy: -51.144 tors. eta vs tors. theta energy: -104.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -943.184892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.184892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.184892 (E_RNA) where: Base-Base interactions energy: -599.096 where: short stacking energy: -253.845 Base-Backbone interact. energy: -1.987 local terms energy: -342.101945 where: bonds (distance) C4'-P energy: -60.673 bonds (distance) P-C4' energy: -84.689 flat angles C4'-P-C4' energy: -81.749 flat angles P-C4'-P energy: -56.561 tors. eta vs tors. theta energy: -58.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -839.768164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.768164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.768164 (E_RNA) where: Base-Base interactions energy: -501.713 where: short stacking energy: -233.260 Base-Backbone interact. energy: 2.886 local terms energy: -340.940916 where: bonds (distance) C4'-P energy: -79.714 bonds (distance) P-C4' energy: -83.492 flat angles C4'-P-C4' energy: -86.323 flat angles P-C4'-P energy: -42.507 tors. eta vs tors. theta energy: -48.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -528.686551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.686551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.686551 (E_RNA) where: Base-Base interactions energy: -232.176 where: short stacking energy: -151.050 Base-Backbone interact. energy: -0.815 local terms energy: -295.695027 where: bonds (distance) C4'-P energy: -74.455 bonds (distance) P-C4' energy: -83.697 flat angles C4'-P-C4' energy: -76.439 flat angles P-C4'-P energy: -44.556 tors. eta vs tors. theta energy: -16.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -494.090979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.090979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.090979 (E_RNA) where: Base-Base interactions energy: -264.158 where: short stacking energy: -128.937 Base-Backbone interact. energy: -0.143 local terms energy: -229.790347 where: bonds (distance) C4'-P energy: -65.153 bonds (distance) P-C4' energy: -86.971 flat angles C4'-P-C4' energy: -41.705 flat angles P-C4'-P energy: -37.472 tors. eta vs tors. theta energy: 1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -358.853721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.853721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.853721 (E_RNA) where: Base-Base interactions energy: -145.198 where: short stacking energy: -76.144 Base-Backbone interact. energy: 3.570 local terms energy: -217.225266 where: bonds (distance) C4'-P energy: -68.302 bonds (distance) P-C4' energy: -69.471 flat angles C4'-P-C4' energy: -60.489 flat angles P-C4'-P energy: -48.889 tors. eta vs tors. theta energy: 29.925 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: 4 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1531.059021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.059021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.059021 (E_RNA) where: Base-Base interactions energy: -1059.648 where: short stacking energy: -435.464 Base-Backbone interact. energy: -3.103 local terms energy: -468.308061 where: bonds (distance) C4'-P energy: -83.594 bonds (distance) P-C4' energy: -89.401 flat angles C4'-P-C4' energy: -103.879 flat angles P-C4'-P energy: -71.961 tors. eta vs tors. theta energy: -119.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1470.016416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.016416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.016416 (E_RNA) where: Base-Base interactions energy: -972.289 where: short stacking energy: -419.832 Base-Backbone interact. energy: -1.824 local terms energy: -495.903461 where: bonds (distance) C4'-P energy: -87.014 bonds (distance) P-C4' energy: -96.390 flat angles C4'-P-C4' energy: -111.985 flat angles P-C4'-P energy: -63.972 tors. eta vs tors. theta energy: -136.543 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: 3, replica: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1395.375699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.375699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.375699 (E_RNA) where: Base-Base interactions energy: -948.341 where: short stacking energy: -392.662 Base-Backbone interact. energy: -2.669 local terms energy: -444.366385 where: bonds (distance) C4'-P energy: -87.871 bonds (distance) P-C4' energy: -89.052 flat angles C4'-P-C4' energy: -92.814 flat angles P-C4'-P energy: -66.269 tors. eta vs tors. theta energy: -108.360 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: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1241.851906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.851906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.851906 (E_RNA) where: Base-Base interactions energy: -823.165 where: short stacking energy: -363.595 Base-Backbone interact. energy: -1.379 local terms energy: -417.307964 where: bonds (distance) C4'-P energy: -82.938 bonds (distance) P-C4' energy: -85.966 flat angles C4'-P-C4' energy: -90.264 flat angles P-C4'-P energy: -52.453 tors. eta vs tors. theta energy: -105.686 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: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1195.703919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.703919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.703919 (E_RNA) where: Base-Base interactions energy: -768.439 where: short stacking energy: -354.265 Base-Backbone interact. energy: -0.080 local terms energy: -427.184338 where: bonds (distance) C4'-P energy: -86.893 bonds (distance) P-C4' energy: -91.465 flat angles C4'-P-C4' energy: -88.455 flat angles P-C4'-P energy: -56.633 tors. eta vs tors. theta energy: -103.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -955.158876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.158876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.158876 (E_RNA) where: Base-Base interactions energy: -597.605 where: short stacking energy: -278.562 Base-Backbone interact. energy: -1.325 local terms energy: -356.229026 where: bonds (distance) C4'-P energy: -67.272 bonds (distance) P-C4' energy: -92.036 flat angles C4'-P-C4' energy: -84.784 flat angles P-C4'-P energy: -49.751 tors. eta vs tors. theta energy: -62.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -762.943072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.943072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.943072 (E_RNA) where: Base-Base interactions energy: -438.151 where: short stacking energy: -219.548 Base-Backbone interact. energy: -1.046 local terms energy: -323.746708 where: bonds (distance) C4'-P energy: -60.211 bonds (distance) P-C4' energy: -92.096 flat angles C4'-P-C4' energy: -82.886 flat angles P-C4'-P energy: -39.520 tors. eta vs tors. theta energy: -49.035 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: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -545.632103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.632103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.632103 (E_RNA) where: Base-Base interactions energy: -254.936 where: short stacking energy: -162.017 Base-Backbone interact. energy: 2.864 local terms energy: -293.559525 where: bonds (distance) C4'-P energy: -86.742 bonds (distance) P-C4' energy: -78.099 flat angles C4'-P-C4' energy: -67.144 flat angles P-C4'-P energy: -53.042 tors. eta vs tors. theta energy: -8.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -509.208625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.208625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.208625 (E_RNA) where: Base-Base interactions energy: -218.510 where: short stacking energy: -122.642 Base-Backbone interact. energy: 5.585 local terms energy: -296.283675 where: bonds (distance) C4'-P energy: -84.205 bonds (distance) P-C4' energy: -89.914 flat angles C4'-P-C4' energy: -72.897 flat angles P-C4'-P energy: -55.191 tors. eta vs tors. theta energy: 5.923 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: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -339.998107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.998107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.998107 (E_RNA) where: Base-Base interactions energy: -129.600 where: short stacking energy: -105.734 Base-Backbone interact. energy: 1.621 local terms energy: -212.019779 where: bonds (distance) C4'-P energy: -73.344 bonds (distance) P-C4' energy: -74.419 flat angles C4'-P-C4' energy: -64.323 flat angles P-C4'-P energy: -20.925 tors. eta vs tors. theta energy: 20.993 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: 1, replica: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1557.894985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.894985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.894985 (E_RNA) where: Base-Base interactions energy: -1076.784 where: short stacking energy: -426.855 Base-Backbone interact. energy: -0.950 local terms energy: -480.161147 where: bonds (distance) C4'-P energy: -81.267 bonds (distance) P-C4' energy: -100.525 flat angles C4'-P-C4' energy: -101.473 flat angles P-C4'-P energy: -69.117 tors. eta vs tors. theta energy: -127.779 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: 5 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1499.147238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.147238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.147238 (E_RNA) where: Base-Base interactions energy: -1003.193 where: short stacking energy: -429.238 Base-Backbone interact. energy: -3.066 local terms energy: -492.887402 where: bonds (distance) C4'-P energy: -92.193 bonds (distance) P-C4' energy: -92.898 flat angles C4'-P-C4' energy: -104.012 flat angles P-C4'-P energy: -70.429 tors. eta vs tors. theta energy: -133.356 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: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1375.795373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.795373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.795373 (E_RNA) where: Base-Base interactions energy: -913.892 where: short stacking energy: -393.803 Base-Backbone interact. energy: -1.282 local terms energy: -460.621128 where: bonds (distance) C4'-P energy: -92.970 bonds (distance) P-C4' energy: -82.946 flat angles C4'-P-C4' energy: -100.052 flat angles P-C4'-P energy: -70.257 tors. eta vs tors. theta energy: -114.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1270.834238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.834238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.834238 (E_RNA) where: Base-Base interactions energy: -834.482 where: short stacking energy: -383.184 Base-Backbone interact. energy: 0.105 local terms energy: -436.457937 where: bonds (distance) C4'-P energy: -83.739 bonds (distance) P-C4' energy: -81.685 flat angles C4'-P-C4' energy: -96.153 flat angles P-C4'-P energy: -68.397 tors. eta vs tors. theta energy: -106.485 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: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1230.444228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.444228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.444228 (E_RNA) where: Base-Base interactions energy: -823.015 where: short stacking energy: -360.149 Base-Backbone interact. energy: -1.091 local terms energy: -406.338875 where: bonds (distance) C4'-P energy: -62.873 bonds (distance) P-C4' energy: -97.634 flat angles C4'-P-C4' energy: -80.373 flat angles P-C4'-P energy: -54.922 tors. eta vs tors. theta energy: -110.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -956.680140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.680140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.680140 (E_RNA) where: Base-Base interactions energy: -614.095 where: short stacking energy: -268.126 Base-Backbone interact. energy: -3.024 local terms energy: -339.561261 where: bonds (distance) C4'-P energy: -76.220 bonds (distance) P-C4' energy: -77.579 flat angles C4'-P-C4' energy: -79.239 flat angles P-C4'-P energy: -48.083 tors. eta vs tors. theta energy: -58.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -768.721144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.721144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.721144 (E_RNA) where: Base-Base interactions energy: -437.003 where: short stacking energy: -220.007 Base-Backbone interact. energy: 0.064 local terms energy: -331.782259 where: bonds (distance) C4'-P energy: -77.515 bonds (distance) P-C4' energy: -80.879 flat angles C4'-P-C4' energy: -77.246 flat angles P-C4'-P energy: -56.689 tors. eta vs tors. theta energy: -39.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -543.594464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.594464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.594464 (E_RNA) where: Base-Base interactions energy: -282.006 where: short stacking energy: -166.808 Base-Backbone interact. energy: 1.758 local terms energy: -263.346158 where: bonds (distance) C4'-P energy: -73.576 bonds (distance) P-C4' energy: -73.735 flat angles C4'-P-C4' energy: -64.093 flat angles P-C4'-P energy: -46.836 tors. eta vs tors. theta energy: -5.105 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: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -474.649634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.649634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.649634 (E_RNA) where: Base-Base interactions energy: -214.696 where: short stacking energy: -127.709 Base-Backbone interact. energy: 1.078 local terms energy: -261.031581 where: bonds (distance) C4'-P energy: -79.033 bonds (distance) P-C4' energy: -67.330 flat angles C4'-P-C4' energy: -67.833 flat angles P-C4'-P energy: -51.792 tors. eta vs tors. theta energy: 4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -365.658616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.658616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.658616 (E_RNA) where: Base-Base interactions energy: -119.755 where: short stacking energy: -91.085 Base-Backbone interact. energy: 1.869 local terms energy: -247.773150 where: bonds (distance) C4'-P energy: -80.599 bonds (distance) P-C4' energy: -87.618 flat angles C4'-P-C4' energy: -59.818 flat angles P-C4'-P energy: -44.716 tors. eta vs tors. theta energy: 24.978 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: 4 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1531.474642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.474642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.474642 (E_RNA) where: Base-Base interactions energy: -1021.818 where: short stacking energy: -447.981 Base-Backbone interact. energy: -3.378 local terms energy: -506.278617 where: bonds (distance) C4'-P energy: -83.614 bonds (distance) P-C4' energy: -94.500 flat angles C4'-P-C4' energy: -114.393 flat angles P-C4'-P energy: -78.155 tors. eta vs tors. theta energy: -135.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1469.666072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.666072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.666072 (E_RNA) where: Base-Base interactions energy: -1001.412 where: short stacking energy: -435.804 Base-Backbone interact. energy: -1.963 local terms energy: -466.291569 where: bonds (distance) C4'-P energy: -88.300 bonds (distance) P-C4' energy: -86.793 flat angles C4'-P-C4' energy: -97.784 flat angles P-C4'-P energy: -57.677 tors. eta vs tors. theta energy: -135.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1337.242497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.242497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.242497 (E_RNA) where: Base-Base interactions energy: -881.798 where: short stacking energy: -380.319 Base-Backbone interact. energy: -1.540 local terms energy: -453.904984 where: bonds (distance) C4'-P energy: -90.290 bonds (distance) P-C4' energy: -95.076 flat angles C4'-P-C4' energy: -87.256 flat angles P-C4'-P energy: -67.996 tors. eta vs tors. theta energy: -113.287 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: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1255.866527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.866527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.866527 (E_RNA) where: Base-Base interactions energy: -809.704 where: short stacking energy: -354.209 Base-Backbone interact. energy: -0.634 local terms energy: -445.528235 where: bonds (distance) C4'-P energy: -81.640 bonds (distance) P-C4' energy: -92.979 flat angles C4'-P-C4' energy: -85.818 flat angles P-C4'-P energy: -77.020 tors. eta vs tors. theta energy: -108.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1220.698160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.698160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.698160 (E_RNA) where: Base-Base interactions energy: -797.017 where: short stacking energy: -350.608 Base-Backbone interact. energy: -3.889 local terms energy: -419.792058 where: bonds (distance) C4'-P energy: -77.705 bonds (distance) P-C4' energy: -87.432 flat angles C4'-P-C4' energy: -97.020 flat angles P-C4'-P energy: -57.934 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: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -978.643865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.643865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.643865 (E_RNA) where: Base-Base interactions energy: -613.350 where: short stacking energy: -305.606 Base-Backbone interact. energy: -0.366 local terms energy: -364.928264 where: bonds (distance) C4'-P energy: -73.710 bonds (distance) P-C4' energy: -74.912 flat angles C4'-P-C4' energy: -90.240 flat angles P-C4'-P energy: -50.684 tors. eta vs tors. theta energy: -75.383 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: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -836.817875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.817875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.817875 (E_RNA) where: Base-Base interactions energy: -499.694 where: short stacking energy: -242.258 Base-Backbone interact. energy: -0.251 local terms energy: -336.872301 where: bonds (distance) C4'-P energy: -65.632 bonds (distance) P-C4' energy: -88.542 flat angles C4'-P-C4' energy: -87.906 flat angles P-C4'-P energy: -51.371 tors. eta vs tors. theta energy: -43.421 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: 88 Temperature: 1.250000 Total energy: -519.035541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.035541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.035541 (E_RNA) where: Base-Base interactions energy: -243.300 where: short stacking energy: -145.783 Base-Backbone interact. energy: 2.829 local terms energy: -278.564305 where: bonds (distance) C4'-P energy: -84.126 bonds (distance) P-C4' energy: -85.800 flat angles C4'-P-C4' energy: -65.350 flat angles P-C4'-P energy: -36.041 tors. eta vs tors. theta energy: -7.248 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: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -485.381473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.381473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.381473 (E_RNA) where: Base-Base interactions energy: -210.362 where: short stacking energy: -127.841 Base-Backbone interact. energy: 1.034 local terms energy: -276.053527 where: bonds (distance) C4'-P energy: -75.186 bonds (distance) P-C4' energy: -85.527 flat angles C4'-P-C4' energy: -74.468 flat angles P-C4'-P energy: -41.340 tors. eta vs tors. theta energy: 0.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -351.933666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.933666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.933666 (E_RNA) where: Base-Base interactions energy: -115.207 where: short stacking energy: -88.036 Base-Backbone interact. energy: -0.421 local terms energy: -236.305230 where: bonds (distance) C4'-P energy: -66.358 bonds (distance) P-C4' energy: -89.706 flat angles C4'-P-C4' energy: -54.473 flat angles P-C4'-P energy: -47.540 tors. eta vs tors. theta energy: 21.771 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: 4 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1548.585555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.585555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.585555 (E_RNA) where: Base-Base interactions energy: -1039.091 where: short stacking energy: -425.083 Base-Backbone interact. energy: -1.715 local terms energy: -507.779154 where: bonds (distance) C4'-P energy: -98.924 bonds (distance) P-C4' energy: -93.862 flat angles C4'-P-C4' energy: -103.091 flat angles P-C4'-P energy: -80.501 tors. eta vs tors. theta energy: -131.402 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: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1482.751188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.751188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.751188 (E_RNA) where: Base-Base interactions energy: -990.528 where: short stacking energy: -413.286 Base-Backbone interact. energy: -3.379 local terms energy: -488.844198 where: bonds (distance) C4'-P energy: -92.511 bonds (distance) P-C4' energy: -95.545 flat angles C4'-P-C4' energy: -105.132 flat angles P-C4'-P energy: -71.424 tors. eta vs tors. theta energy: -124.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1386.503242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.503242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.503242 (E_RNA) where: Base-Base interactions energy: -917.730 where: short stacking energy: -398.947 Base-Backbone interact. energy: 4.037 local terms energy: -472.810917 where: bonds (distance) C4'-P energy: -84.362 bonds (distance) P-C4' energy: -90.277 flat angles C4'-P-C4' energy: -111.030 flat angles P-C4'-P energy: -64.219 tors. eta vs tors. theta energy: -122.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1268.677109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.677109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.677109 (E_RNA) where: Base-Base interactions energy: -846.446 where: short stacking energy: -365.418 Base-Backbone interact. energy: -2.785 local terms energy: -419.446351 where: bonds (distance) C4'-P energy: -90.303 bonds (distance) P-C4' energy: -83.421 flat angles C4'-P-C4' energy: -77.080 flat angles P-C4'-P energy: -62.829 tors. eta vs tors. theta energy: -105.814 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: 89 Temperature: 1.100000 Total energy: -1224.274944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.274944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.274944 (E_RNA) where: Base-Base interactions energy: -800.193 where: short stacking energy: -360.146 Base-Backbone interact. energy: 1.353 local terms energy: -425.434650 where: bonds (distance) C4'-P energy: -86.069 bonds (distance) P-C4' energy: -83.914 flat angles C4'-P-C4' energy: -90.647 flat angles P-C4'-P energy: -62.384 tors. eta vs tors. theta energy: -102.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -981.498000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.498000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.498000 (E_RNA) where: Base-Base interactions energy: -610.620 where: short stacking energy: -271.230 Base-Backbone interact. energy: -1.195 local terms energy: -369.682866 where: bonds (distance) C4'-P energy: -77.830 bonds (distance) P-C4' energy: -85.587 flat angles C4'-P-C4' energy: -80.846 flat angles P-C4'-P energy: -53.541 tors. eta vs tors. theta energy: -71.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -851.638648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.638648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.638648 (E_RNA) where: Base-Base interactions energy: -523.613 where: short stacking energy: -233.191 Base-Backbone interact. energy: 0.621 local terms energy: -328.646492 where: bonds (distance) C4'-P energy: -68.832 bonds (distance) P-C4' energy: -71.016 flat angles C4'-P-C4' energy: -86.689 flat angles P-C4'-P energy: -55.185 tors. eta vs tors. theta energy: -46.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -608.595185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.595185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.595185 (E_RNA) where: Base-Base interactions energy: -315.980 where: short stacking energy: -170.624 Base-Backbone interact. energy: 1.037 local terms energy: -293.652236 where: bonds (distance) C4'-P energy: -81.592 bonds (distance) P-C4' energy: -69.983 flat angles C4'-P-C4' energy: -81.317 flat angles P-C4'-P energy: -37.259 tors. eta vs tors. theta energy: -23.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -495.736067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.736067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.736067 (E_RNA) where: Base-Base interactions energy: -255.890 where: short stacking energy: -132.671 Base-Backbone interact. energy: 2.657 local terms energy: -242.502839 where: bonds (distance) C4'-P energy: -67.573 bonds (distance) P-C4' energy: -77.476 flat angles C4'-P-C4' energy: -62.760 flat angles P-C4'-P energy: -38.738 tors. eta vs tors. theta energy: 4.044 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: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -351.199126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.199126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.199126 (E_RNA) where: Base-Base interactions energy: -134.633 where: short stacking energy: -111.033 Base-Backbone interact. energy: 1.574 local terms energy: -218.140660 where: bonds (distance) C4'-P energy: -59.384 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -53.433 flat angles P-C4'-P energy: -51.522 tors. eta vs tors. theta energy: 9.716 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: 4 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1536.369811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.369811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.369811 (E_RNA) where: Base-Base interactions energy: -1041.669 where: short stacking energy: -439.651 Base-Backbone interact. energy: -0.970 local terms energy: -493.731245 where: bonds (distance) C4'-P energy: -89.873 bonds (distance) P-C4' energy: -92.618 flat angles C4'-P-C4' energy: -116.791 flat angles P-C4'-P energy: -68.137 tors. eta vs tors. theta energy: -126.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1477.078959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.078959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.078959 (E_RNA) where: Base-Base interactions energy: -1000.904 where: short stacking energy: -445.526 Base-Backbone interact. energy: -1.711 local terms energy: -474.463801 where: bonds (distance) C4'-P energy: -81.588 bonds (distance) P-C4' energy: -85.106 flat angles C4'-P-C4' energy: -102.172 flat angles P-C4'-P energy: -70.928 tors. eta vs tors. theta energy: -134.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1409.685712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.685712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.685712 (E_RNA) where: Base-Base interactions energy: -972.723 where: short stacking energy: -416.774 Base-Backbone interact. energy: -2.435 local terms energy: -434.527846 where: bonds (distance) C4'-P energy: -80.795 bonds (distance) P-C4' energy: -83.370 flat angles C4'-P-C4' energy: -95.495 flat angles P-C4'-P energy: -64.997 tors. eta vs tors. theta energy: -109.870 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: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1286.435676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.435676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.435676 (E_RNA) where: Base-Base interactions energy: -872.453 where: short stacking energy: -354.721 Base-Backbone interact. energy: 0.158 local terms energy: -414.140885 where: bonds (distance) C4'-P energy: -71.843 bonds (distance) P-C4' energy: -92.090 flat angles C4'-P-C4' energy: -91.368 flat angles P-C4'-P energy: -63.060 tors. eta vs tors. theta energy: -95.780 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: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1238.546713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.546713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.546713 (E_RNA) where: Base-Base interactions energy: -836.330 where: short stacking energy: -364.247 Base-Backbone interact. energy: -1.068 local terms energy: -401.147785 where: bonds (distance) C4'-P energy: -72.637 bonds (distance) P-C4' energy: -76.800 flat angles C4'-P-C4' energy: -95.600 flat angles P-C4'-P energy: -49.202 tors. eta vs tors. theta energy: -106.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1006.898678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.898678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.898678 (E_RNA) where: Base-Base interactions energy: -638.430 where: short stacking energy: -282.445 Base-Backbone interact. energy: -3.868 local terms energy: -364.600378 where: bonds (distance) C4'-P energy: -67.674 bonds (distance) P-C4' energy: -92.117 flat angles C4'-P-C4' energy: -86.979 flat angles P-C4'-P energy: -39.272 tors. eta vs tors. theta energy: -78.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -822.239861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.239861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.239861 (E_RNA) where: Base-Base interactions energy: -483.752 where: short stacking energy: -242.983 Base-Backbone interact. energy: -2.258 local terms energy: -336.230350 where: bonds (distance) C4'-P energy: -78.746 bonds (distance) P-C4' energy: -80.415 flat angles C4'-P-C4' energy: -63.939 flat angles P-C4'-P energy: -52.112 tors. eta vs tors. theta energy: -61.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -587.597824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.597824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.597824 (E_RNA) where: Base-Base interactions energy: -312.873 where: short stacking energy: -190.631 Base-Backbone interact. energy: -3.435 local terms energy: -271.289200 where: bonds (distance) C4'-P energy: -69.119 bonds (distance) P-C4' energy: -79.692 flat angles C4'-P-C4' energy: -68.818 flat angles P-C4'-P energy: -39.721 tors. eta vs tors. theta energy: -13.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -524.795715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.795715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.795715 (E_RNA) where: Base-Base interactions energy: -238.667 where: short stacking energy: -154.570 Base-Backbone interact. energy: 0.786 local terms energy: -286.915177 where: bonds (distance) C4'-P energy: -80.914 bonds (distance) P-C4' energy: -74.281 flat angles C4'-P-C4' energy: -81.076 flat angles P-C4'-P energy: -41.202 tors. eta vs tors. theta energy: -9.442 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: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -373.543799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.543799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.543799 (E_RNA) where: Base-Base interactions energy: -134.696 where: short stacking energy: -109.232 Base-Backbone interact. energy: 8.532 local terms energy: -247.379166 where: bonds (distance) C4'-P energy: -76.634 bonds (distance) P-C4' energy: -88.376 flat angles C4'-P-C4' energy: -56.170 flat angles P-C4'-P energy: -43.579 tors. eta vs tors. theta energy: 17.381 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: 4 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1550.173437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.173437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.173437 (E_RNA) where: Base-Base interactions energy: -1056.152 where: short stacking energy: -458.038 Base-Backbone interact. energy: -1.398 local terms energy: -492.623461 where: bonds (distance) C4'-P energy: -92.083 bonds (distance) P-C4' energy: -90.251 flat angles C4'-P-C4' energy: -106.406 flat angles P-C4'-P energy: -77.019 tors. eta vs tors. theta energy: -126.864 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: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1477.643191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.643191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.643191 (E_RNA) where: Base-Base interactions energy: -1006.416 where: short stacking energy: -436.043 Base-Backbone interact. energy: -2.267 local terms energy: -468.960073 where: bonds (distance) C4'-P energy: -79.292 bonds (distance) P-C4' energy: -93.986 flat angles C4'-P-C4' energy: -99.756 flat angles P-C4'-P energy: -66.506 tors. eta vs tors. theta energy: -129.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1408.319424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.319424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.319424 (E_RNA) where: Base-Base interactions energy: -952.824 where: short stacking energy: -417.438 Base-Backbone interact. energy: -0.563 local terms energy: -454.932855 where: bonds (distance) C4'-P energy: -92.633 bonds (distance) P-C4' energy: -85.405 flat angles C4'-P-C4' energy: -95.827 flat angles P-C4'-P energy: -71.415 tors. eta vs tors. theta energy: -109.653 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: 4, replica: 8 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1307.554820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.554820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.554820 (E_RNA) where: Base-Base interactions energy: -887.004 where: short stacking energy: -375.845 Base-Backbone interact. energy: -3.578 local terms energy: -416.972144 where: bonds (distance) C4'-P energy: -88.641 bonds (distance) P-C4' energy: -73.018 flat angles C4'-P-C4' energy: -94.417 flat angles P-C4'-P energy: -60.747 tors. eta vs tors. theta energy: -100.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1183.047784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.047784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.047784 (E_RNA) where: Base-Base interactions energy: -781.001 where: short stacking energy: -323.847 Base-Backbone interact. energy: -1.162 local terms energy: -400.883883 where: bonds (distance) C4'-P energy: -82.410 bonds (distance) P-C4' energy: -75.590 flat angles C4'-P-C4' energy: -86.621 flat angles P-C4'-P energy: -62.470 tors. eta vs tors. theta energy: -93.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1031.495183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.495183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.495183 (E_RNA) where: Base-Base interactions energy: -663.781 where: short stacking energy: -294.980 Base-Backbone interact. energy: -0.761 local terms energy: -366.952512 where: bonds (distance) C4'-P energy: -73.866 bonds (distance) P-C4' energy: -77.772 flat angles C4'-P-C4' energy: -82.120 flat angles P-C4'-P energy: -58.401 tors. eta vs tors. theta energy: -74.792 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: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -815.536993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.536993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.536993 (E_RNA) where: Base-Base interactions energy: -499.230 where: short stacking energy: -241.472 Base-Backbone interact. energy: 0.588 local terms energy: -316.895408 where: bonds (distance) C4'-P energy: -71.071 bonds (distance) P-C4' energy: -81.298 flat angles C4'-P-C4' energy: -71.059 flat angles P-C4'-P energy: -44.608 tors. eta vs tors. theta energy: -48.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -669.393738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.393738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.393738 (E_RNA) where: Base-Base interactions energy: -387.270 where: short stacking energy: -203.754 Base-Backbone interact. energy: -2.219 local terms energy: -279.904070 where: bonds (distance) C4'-P energy: -59.521 bonds (distance) P-C4' energy: -68.633 flat angles C4'-P-C4' energy: -77.317 flat angles P-C4'-P energy: -50.392 tors. eta vs tors. theta energy: -24.041 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: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -506.735737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.735737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.735737 (E_RNA) where: Base-Base interactions energy: -232.265 where: short stacking energy: -153.484 Base-Backbone interact. energy: -2.709 local terms energy: -271.762648 where: bonds (distance) C4'-P energy: -71.109 bonds (distance) P-C4' energy: -84.314 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -27.750 tors. eta vs tors. theta energy: -23.203 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: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -372.556648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.556648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.556648 (E_RNA) where: Base-Base interactions energy: -119.222 where: short stacking energy: -96.642 Base-Backbone interact. energy: -0.863 local terms energy: -252.471396 where: bonds (distance) C4'-P energy: -77.796 bonds (distance) P-C4' energy: -81.385 flat angles C4'-P-C4' energy: -54.171 flat angles P-C4'-P energy: -45.567 tors. eta vs tors. theta energy: 6.447 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: 1, replica: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1548.095579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.095579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.095579 (E_RNA) where: Base-Base interactions energy: -1053.458 where: short stacking energy: -440.654 Base-Backbone interact. energy: -1.388 local terms energy: -493.248719 where: bonds (distance) C4'-P energy: -91.055 bonds (distance) P-C4' energy: -93.685 flat angles C4'-P-C4' energy: -104.744 flat angles P-C4'-P energy: -72.237 tors. eta vs tors. theta energy: -131.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1468.804707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.804707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.804707 (E_RNA) where: Base-Base interactions energy: -1002.745 where: short stacking energy: -425.214 Base-Backbone interact. energy: -2.546 local terms energy: -463.513537 where: bonds (distance) C4'-P energy: -90.190 bonds (distance) P-C4' energy: -75.730 flat angles C4'-P-C4' energy: -107.263 flat angles P-C4'-P energy: -62.677 tors. eta vs tors. theta energy: -127.654 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: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1410.148575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.148575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.148575 (E_RNA) where: Base-Base interactions energy: -948.993 where: short stacking energy: -409.793 Base-Backbone interact. energy: -1.117 local terms energy: -460.038457 where: bonds (distance) C4'-P energy: -87.953 bonds (distance) P-C4' energy: -88.455 flat angles C4'-P-C4' energy: -96.542 flat angles P-C4'-P energy: -59.526 tors. eta vs tors. theta energy: -127.563 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: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1366.622328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.622328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.622328 (E_RNA) where: Base-Base interactions energy: -927.572 where: short stacking energy: -400.794 Base-Backbone interact. energy: -3.752 local terms energy: -435.298618 where: bonds (distance) C4'-P energy: -85.114 bonds (distance) P-C4' energy: -85.496 flat angles C4'-P-C4' energy: -92.032 flat angles P-C4'-P energy: -60.222 tors. eta vs tors. theta energy: -112.434 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: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1170.142099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.142099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.142099 (E_RNA) where: Base-Base interactions energy: -769.746 where: short stacking energy: -295.740 Base-Backbone interact. energy: -0.199 local terms energy: -400.197228 where: bonds (distance) C4'-P energy: -77.354 bonds (distance) P-C4' energy: -92.230 flat angles C4'-P-C4' energy: -94.482 flat angles P-C4'-P energy: -53.206 tors. eta vs tors. theta energy: -82.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1059.997424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.997424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.997424 (E_RNA) where: Base-Base interactions energy: -690.360 where: short stacking energy: -296.417 Base-Backbone interact. energy: -1.572 local terms energy: -368.065527 where: bonds (distance) C4'-P energy: -60.463 bonds (distance) P-C4' energy: -87.402 flat angles C4'-P-C4' energy: -75.362 flat angles P-C4'-P energy: -60.754 tors. eta vs tors. theta energy: -84.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -813.291638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.291638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.291638 (E_RNA) where: Base-Base interactions energy: -490.510 where: short stacking energy: -228.679 Base-Backbone interact. energy: -0.463 local terms energy: -322.318486 where: bonds (distance) C4'-P energy: -81.043 bonds (distance) P-C4' energy: -76.080 flat angles C4'-P-C4' energy: -84.198 flat angles P-C4'-P energy: -41.457 tors. eta vs tors. theta energy: -39.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -657.464886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.464886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.464886 (E_RNA) where: Base-Base interactions energy: -341.449 where: short stacking energy: -184.723 Base-Backbone interact. energy: 2.648 local terms energy: -318.664299 where: bonds (distance) C4'-P energy: -74.566 bonds (distance) P-C4' energy: -84.446 flat angles C4'-P-C4' energy: -83.710 flat angles P-C4'-P energy: -52.384 tors. eta vs tors. theta energy: -23.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -504.231336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.231336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.231336 (E_RNA) where: Base-Base interactions energy: -232.634 where: short stacking energy: -138.057 Base-Backbone interact. energy: -0.205 local terms energy: -271.391641 where: bonds (distance) C4'-P energy: -65.150 bonds (distance) P-C4' energy: -80.313 flat angles C4'-P-C4' energy: -73.525 flat angles P-C4'-P energy: -42.617 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -354.798811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.798811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.798811 (E_RNA) where: Base-Base interactions energy: -131.279 where: short stacking energy: -114.278 Base-Backbone interact. energy: 1.415 local terms energy: -224.935413 where: bonds (distance) C4'-P energy: -53.344 bonds (distance) P-C4' energy: -75.406 flat angles C4'-P-C4' energy: -73.325 flat angles P-C4'-P energy: -43.421 tors. eta vs tors. theta energy: 20.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1519.837907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.837907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.837907 (E_RNA) where: Base-Base interactions energy: -1036.584 where: short stacking energy: -428.274 Base-Backbone interact. energy: -1.377 local terms energy: -481.877245 where: bonds (distance) C4'-P energy: -93.514 bonds (distance) P-C4' energy: -91.866 flat angles C4'-P-C4' energy: -107.159 flat angles P-C4'-P energy: -67.476 tors. eta vs tors. theta energy: -121.863 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: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1459.472815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.472815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.472815 (E_RNA) where: Base-Base interactions energy: -982.932 where: short stacking energy: -411.909 Base-Backbone interact. energy: -1.188 local terms energy: -475.353536 where: bonds (distance) C4'-P energy: -96.160 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -92.444 flat angles P-C4'-P energy: -66.843 tors. eta vs tors. theta energy: -131.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1387.979797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.979797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.979797 (E_RNA) where: Base-Base interactions energy: -965.832 where: short stacking energy: -405.455 Base-Backbone interact. energy: 0.298 local terms energy: -422.445764 where: bonds (distance) C4'-P energy: -72.024 bonds (distance) P-C4' energy: -83.838 flat angles C4'-P-C4' energy: -91.723 flat angles P-C4'-P energy: -59.549 tors. eta vs tors. theta energy: -115.313 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: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1355.193938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.193938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.193938 (E_RNA) where: Base-Base interactions energy: -924.573 where: short stacking energy: -376.684 Base-Backbone interact. energy: -1.103 local terms energy: -429.518717 where: bonds (distance) C4'-P energy: -89.337 bonds (distance) P-C4' energy: -82.853 flat angles C4'-P-C4' energy: -85.588 flat angles P-C4'-P energy: -61.882 tors. eta vs tors. theta energy: -109.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1142.201794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.201794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.201794 (E_RNA) where: Base-Base interactions energy: -751.001 where: short stacking energy: -333.237 Base-Backbone interact. energy: -2.386 local terms energy: -388.814861 where: bonds (distance) C4'-P energy: -81.956 bonds (distance) P-C4' energy: -82.353 flat angles C4'-P-C4' energy: -82.527 flat angles P-C4'-P energy: -54.477 tors. eta vs tors. theta energy: -87.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1061.799033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.799033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.799033 (E_RNA) where: Base-Base interactions energy: -677.995 where: short stacking energy: -302.925 Base-Backbone interact. energy: -1.560 local terms energy: -382.244123 where: bonds (distance) C4'-P energy: -72.239 bonds (distance) P-C4' energy: -78.228 flat angles C4'-P-C4' energy: -83.858 flat angles P-C4'-P energy: -65.088 tors. eta vs tors. theta energy: -82.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -792.572436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.572436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.572436 (E_RNA) where: Base-Base interactions energy: -471.854 where: short stacking energy: -233.730 Base-Backbone interact. energy: -0.753 local terms energy: -319.965559 where: bonds (distance) C4'-P energy: -79.678 bonds (distance) P-C4' energy: -87.613 flat angles C4'-P-C4' energy: -79.410 flat angles P-C4'-P energy: -35.675 tors. eta vs tors. theta energy: -37.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -662.449172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.449172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.449172 (E_RNA) where: Base-Base interactions energy: -388.998 where: short stacking energy: -220.176 Base-Backbone interact. energy: -1.952 local terms energy: -271.499720 where: bonds (distance) C4'-P energy: -77.869 bonds (distance) P-C4' energy: -68.569 flat angles C4'-P-C4' energy: -73.608 flat angles P-C4'-P energy: -26.028 tors. eta vs tors. theta energy: -25.426 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: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -488.600606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.600606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.600606 (E_RNA) where: Base-Base interactions energy: -251.707 where: short stacking energy: -144.682 Base-Backbone interact. energy: 1.738 local terms energy: -238.632226 where: bonds (distance) C4'-P energy: -79.537 bonds (distance) P-C4' energy: -72.622 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -34.675 tors. eta vs tors. theta energy: 13.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -366.828377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.828377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.828377 (E_RNA) where: Base-Base interactions energy: -139.045 where: short stacking energy: -107.098 Base-Backbone interact. energy: -1.895 local terms energy: -225.888233 where: bonds (distance) C4'-P energy: -60.667 bonds (distance) P-C4' energy: -71.238 flat angles C4'-P-C4' energy: -69.029 flat angles P-C4'-P energy: -30.657 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: 4 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1558.994474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.994474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.994474 (E_RNA) where: Base-Base interactions energy: -1060.041 where: short stacking energy: -426.156 Base-Backbone interact. energy: -2.643 local terms energy: -496.310550 where: bonds (distance) C4'-P energy: -97.106 bonds (distance) P-C4' energy: -91.600 flat angles C4'-P-C4' energy: -101.134 flat angles P-C4'-P energy: -76.157 tors. eta vs tors. theta energy: -130.314 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: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1466.391730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.391730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.391730 (E_RNA) where: Base-Base interactions energy: -990.934 where: short stacking energy: -408.127 Base-Backbone interact. energy: -1.893 local terms energy: -473.564967 where: bonds (distance) C4'-P energy: -81.351 bonds (distance) P-C4' energy: -98.238 flat angles C4'-P-C4' energy: -100.829 flat angles P-C4'-P energy: -64.015 tors. eta vs tors. theta energy: -129.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1446.869873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.869873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.869873 (E_RNA) where: Base-Base interactions energy: -988.346 where: short stacking energy: -418.261 Base-Backbone interact. energy: -2.216 local terms energy: -456.307759 where: bonds (distance) C4'-P energy: -82.832 bonds (distance) P-C4' energy: -80.236 flat angles C4'-P-C4' energy: -104.206 flat angles P-C4'-P energy: -59.118 tors. eta vs tors. theta energy: -129.916 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: 94 Temperature: 1.050000 Total energy: -1321.395690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.395690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.395690 (E_RNA) where: Base-Base interactions energy: -871.856 where: short stacking energy: -357.060 Base-Backbone interact. energy: -0.035 local terms energy: -449.504195 where: bonds (distance) C4'-P energy: -86.608 bonds (distance) P-C4' energy: -97.773 flat angles C4'-P-C4' energy: -109.359 flat angles P-C4'-P energy: -57.374 tors. eta vs tors. theta energy: -98.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1146.178773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.178773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.178773 (E_RNA) where: Base-Base interactions energy: -759.245 where: short stacking energy: -324.034 Base-Backbone interact. energy: -2.633 local terms energy: -384.300841 where: bonds (distance) C4'-P energy: -80.132 bonds (distance) P-C4' energy: -85.455 flat angles C4'-P-C4' energy: -83.075 flat angles P-C4'-P energy: -55.738 tors. eta vs tors. theta energy: -79.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1028.588588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.588588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.588588 (E_RNA) where: Base-Base interactions energy: -652.370 where: short stacking energy: -288.330 Base-Backbone interact. energy: -0.932 local terms energy: -375.286439 where: bonds (distance) C4'-P energy: -79.577 bonds (distance) P-C4' energy: -71.577 flat angles C4'-P-C4' energy: -88.390 flat angles P-C4'-P energy: -51.011 tors. eta vs tors. theta energy: -84.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -843.249951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.249951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.249951 (E_RNA) where: Base-Base interactions energy: -490.147 where: short stacking energy: -274.942 Base-Backbone interact. energy: 1.475 local terms energy: -354.578122 where: bonds (distance) C4'-P energy: -74.853 bonds (distance) P-C4' energy: -75.012 flat angles C4'-P-C4' energy: -83.088 flat angles P-C4'-P energy: -51.554 tors. eta vs tors. theta energy: -70.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -670.914715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.914715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.914715 (E_RNA) where: Base-Base interactions energy: -369.194 where: short stacking energy: -186.108 Base-Backbone interact. energy: -2.781 local terms energy: -298.940240 where: bonds (distance) C4'-P energy: -63.608 bonds (distance) P-C4' energy: -82.994 flat angles C4'-P-C4' energy: -81.287 flat angles P-C4'-P energy: -51.370 tors. eta vs tors. theta energy: -19.681 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: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -507.801161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.801161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.801161 (E_RNA) where: Base-Base interactions energy: -243.966 where: short stacking energy: -146.271 Base-Backbone interact. energy: -0.826 local terms energy: -263.008920 where: bonds (distance) C4'-P energy: -65.142 bonds (distance) P-C4' energy: -66.376 flat angles C4'-P-C4' energy: -74.761 flat angles P-C4'-P energy: -50.180 tors. eta vs tors. theta energy: -6.551 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: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -350.603001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.603001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.603001 (E_RNA) where: Base-Base interactions energy: -131.256 where: short stacking energy: -101.950 Base-Backbone interact. energy: 5.673 local terms energy: -225.019814 where: bonds (distance) C4'-P energy: -70.269 bonds (distance) P-C4' energy: -77.076 flat angles C4'-P-C4' energy: -74.283 flat angles P-C4'-P energy: -26.372 tors. eta vs tors. theta energy: 22.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1568.749328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.749328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.749328 (E_RNA) where: Base-Base interactions energy: -1071.014 where: short stacking energy: -442.257 Base-Backbone interact. energy: -3.709 local terms energy: -494.026197 where: bonds (distance) C4'-P energy: -85.145 bonds (distance) P-C4' energy: -97.495 flat angles C4'-P-C4' energy: -94.501 flat angles P-C4'-P energy: -81.794 tors. eta vs tors. theta energy: -135.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1464.431698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.431698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.431698 (E_RNA) where: Base-Base interactions energy: -987.035 where: short stacking energy: -418.865 Base-Backbone interact. energy: -1.088 local terms energy: -476.309117 where: bonds (distance) C4'-P energy: -89.683 bonds (distance) P-C4' energy: -87.211 flat angles C4'-P-C4' energy: -99.357 flat angles P-C4'-P energy: -66.290 tors. eta vs tors. theta energy: -133.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1368.871138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.871138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.871138 (E_RNA) where: Base-Base interactions energy: -932.192 where: short stacking energy: -401.981 Base-Backbone interact. energy: 2.975 local terms energy: -439.654223 where: bonds (distance) C4'-P energy: -90.717 bonds (distance) P-C4' energy: -83.994 flat angles C4'-P-C4' energy: -94.976 flat angles P-C4'-P energy: -53.876 tors. eta vs tors. theta energy: -116.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1321.169283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.169283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.169283 (E_RNA) where: Base-Base interactions energy: -910.593 where: short stacking energy: -368.864 Base-Backbone interact. energy: -0.935 local terms energy: -409.642209 where: bonds (distance) C4'-P energy: -66.581 bonds (distance) P-C4' energy: -91.930 flat angles C4'-P-C4' energy: -88.418 flat angles P-C4'-P energy: -63.112 tors. eta vs tors. theta energy: -99.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1164.646089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.646089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.646089 (E_RNA) where: Base-Base interactions energy: -746.603 where: short stacking energy: -358.936 Base-Backbone interact. energy: -0.833 local terms energy: -417.210162 where: bonds (distance) C4'-P energy: -84.354 bonds (distance) P-C4' energy: -74.555 flat angles C4'-P-C4' energy: -98.165 flat angles P-C4'-P energy: -58.604 tors. eta vs tors. theta energy: -101.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1109.587202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.587202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.587202 (E_RNA) where: Base-Base interactions energy: -733.681 where: short stacking energy: -330.034 Base-Backbone interact. energy: -0.252 local terms energy: -375.654271 where: bonds (distance) C4'-P energy: -66.291 bonds (distance) P-C4' energy: -77.464 flat angles C4'-P-C4' energy: -85.330 flat angles P-C4'-P energy: -61.780 tors. eta vs tors. theta energy: -84.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -800.019333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.019333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.019333 (E_RNA) where: Base-Base interactions energy: -453.524 where: short stacking energy: -214.223 Base-Backbone interact. energy: 0.971 local terms energy: -347.466238 where: bonds (distance) C4'-P energy: -63.432 bonds (distance) P-C4' energy: -86.482 flat angles C4'-P-C4' energy: -80.823 flat angles P-C4'-P energy: -62.972 tors. eta vs tors. theta energy: -53.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -652.244334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.244334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.244334 (E_RNA) where: Base-Base interactions energy: -359.365 where: short stacking energy: -164.477 Base-Backbone interact. energy: 2.119 local terms energy: -294.998002 where: bonds (distance) C4'-P energy: -82.729 bonds (distance) P-C4' energy: -89.616 flat angles C4'-P-C4' energy: -67.078 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -12.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -485.880450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.880450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.880450 (E_RNA) where: Base-Base interactions energy: -216.575 where: short stacking energy: -145.986 Base-Backbone interact. energy: -2.031 local terms energy: -267.274195 where: bonds (distance) C4'-P energy: -74.100 bonds (distance) P-C4' energy: -78.298 flat angles C4'-P-C4' energy: -62.571 flat angles P-C4'-P energy: -44.287 tors. eta vs tors. theta energy: -8.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -392.970138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.970138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.970138 (E_RNA) where: Base-Base interactions energy: -148.381 where: short stacking energy: -117.505 Base-Backbone interact. energy: -0.330 local terms energy: -244.259518 where: bonds (distance) C4'-P energy: -75.390 bonds (distance) P-C4' energy: -81.580 flat angles C4'-P-C4' energy: -57.269 flat angles P-C4'-P energy: -42.873 tors. eta vs tors. theta energy: 12.853 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: 1, replica: 4 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1547.787182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.787182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.787182 (E_RNA) where: Base-Base interactions energy: -1076.381 where: short stacking energy: -443.945 Base-Backbone interact. energy: -0.603 local terms energy: -470.803125 where: bonds (distance) C4'-P energy: -85.229 bonds (distance) P-C4' energy: -93.804 flat angles C4'-P-C4' energy: -107.609 flat angles P-C4'-P energy: -57.834 tors. eta vs tors. theta energy: -126.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1452.146698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.146698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.146698 (E_RNA) where: Base-Base interactions energy: -964.513 where: short stacking energy: -394.670 Base-Backbone interact. energy: -2.460 local terms energy: -485.173191 where: bonds (distance) C4'-P energy: -93.178 bonds (distance) P-C4' energy: -100.218 flat angles C4'-P-C4' energy: -101.049 flat angles P-C4'-P energy: -67.652 tors. eta vs tors. theta energy: -123.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1380.587104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.587104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.587104 (E_RNA) where: Base-Base interactions energy: -930.901 where: short stacking energy: -392.320 Base-Backbone interact. energy: -0.371 local terms energy: -449.315375 where: bonds (distance) C4'-P energy: -81.575 bonds (distance) P-C4' energy: -91.922 flat angles C4'-P-C4' energy: -92.338 flat angles P-C4'-P energy: -61.526 tors. eta vs tors. theta energy: -121.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1349.050748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.050748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.050748 (E_RNA) where: Base-Base interactions energy: -910.282 where: short stacking energy: -403.403 Base-Backbone interact. energy: -1.955 local terms energy: -436.812943 where: bonds (distance) C4'-P energy: -74.627 bonds (distance) P-C4' energy: -87.362 flat angles C4'-P-C4' energy: -91.323 flat angles P-C4'-P energy: -69.831 tors. eta vs tors. theta energy: -113.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1132.979851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.979851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.979851 (E_RNA) where: Base-Base interactions energy: -738.307 where: short stacking energy: -328.966 Base-Backbone interact. energy: 0.560 local terms energy: -395.232439 where: bonds (distance) C4'-P energy: -73.076 bonds (distance) P-C4' energy: -85.360 flat angles C4'-P-C4' energy: -90.048 flat angles P-C4'-P energy: -58.165 tors. eta vs tors. theta energy: -88.585 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: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1103.868284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.868284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.868284 (E_RNA) where: Base-Base interactions energy: -708.813 where: short stacking energy: -302.776 Base-Backbone interact. energy: 0.265 local terms energy: -395.320203 where: bonds (distance) C4'-P energy: -91.665 bonds (distance) P-C4' energy: -87.651 flat angles C4'-P-C4' energy: -81.141 flat angles P-C4'-P energy: -47.441 tors. eta vs tors. theta energy: -87.423 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: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -875.780171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.780171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.780171 (E_RNA) where: Base-Base interactions energy: -535.654 where: short stacking energy: -246.777 Base-Backbone interact. energy: 5.154 local terms energy: -345.280382 where: bonds (distance) C4'-P energy: -69.773 bonds (distance) P-C4' energy: -90.585 flat angles C4'-P-C4' energy: -75.677 flat angles P-C4'-P energy: -64.212 tors. eta vs tors. theta energy: -45.033 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: 96 Temperature: 1.250000 Total energy: -654.938830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.938830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.938830 (E_RNA) where: Base-Base interactions energy: -327.225 where: short stacking energy: -168.230 Base-Backbone interact. energy: -2.364 local terms energy: -325.350408 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -86.877 flat angles C4'-P-C4' energy: -81.691 flat angles P-C4'-P energy: -53.226 tors. eta vs tors. theta energy: -24.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -493.769839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.769839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.769839 (E_RNA) where: Base-Base interactions energy: -257.703 where: short stacking energy: -159.583 Base-Backbone interact. energy: -1.881 local terms energy: -234.185687 where: bonds (distance) C4'-P energy: -49.640 bonds (distance) P-C4' energy: -83.587 flat angles C4'-P-C4' energy: -67.705 flat angles P-C4'-P energy: -40.746 tors. eta vs tors. theta energy: 7.493 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: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -356.182479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.182479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.182479 (E_RNA) where: Base-Base interactions energy: -146.468 where: short stacking energy: -71.902 Base-Backbone interact. energy: -0.077 local terms energy: -209.637898 where: bonds (distance) C4'-P energy: -65.448 bonds (distance) P-C4' energy: -69.040 flat angles C4'-P-C4' energy: -72.931 flat angles P-C4'-P energy: -36.033 tors. eta vs tors. theta energy: 33.814 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: 4 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1575.766204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.766204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.766204 (E_RNA) where: Base-Base interactions energy: -1075.279 where: short stacking energy: -472.963 Base-Backbone interact. energy: -2.997 local terms energy: -497.490536 where: bonds (distance) C4'-P energy: -94.909 bonds (distance) P-C4' energy: -86.385 flat angles C4'-P-C4' energy: -106.156 flat angles P-C4'-P energy: -73.810 tors. eta vs tors. theta energy: -136.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1495.407876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.407876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.407876 (E_RNA) where: Base-Base interactions energy: -991.695 where: short stacking energy: -458.025 Base-Backbone interact. energy: -2.759 local terms energy: -500.954503 where: bonds (distance) C4'-P energy: -95.705 bonds (distance) P-C4' energy: -91.736 flat angles C4'-P-C4' energy: -104.301 flat angles P-C4'-P energy: -69.264 tors. eta vs tors. theta energy: -139.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1388.918204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.918204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.918204 (E_RNA) where: Base-Base interactions energy: -939.983 where: short stacking energy: -384.771 Base-Backbone interact. energy: -2.527 local terms energy: -446.407853 where: bonds (distance) C4'-P energy: -92.562 bonds (distance) P-C4' energy: -90.304 flat angles C4'-P-C4' energy: -95.207 flat angles P-C4'-P energy: -59.559 tors. eta vs tors. theta energy: -108.776 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: 97 Temperature: 1.050000 Total energy: -1368.046531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.046531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.046531 (E_RNA) where: Base-Base interactions energy: -919.944 where: short stacking energy: -417.223 Base-Backbone interact. energy: -1.096 local terms energy: -447.006690 where: bonds (distance) C4'-P energy: -75.820 bonds (distance) P-C4' energy: -88.552 flat angles C4'-P-C4' energy: -91.803 flat angles P-C4'-P energy: -65.934 tors. eta vs tors. theta energy: -124.899 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: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1178.643747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.643747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.643747 (E_RNA) where: Base-Base interactions energy: -774.552 where: short stacking energy: -343.746 Base-Backbone interact. energy: 0.096 local terms energy: -404.187546 where: bonds (distance) C4'-P energy: -87.320 bonds (distance) P-C4' energy: -80.297 flat angles C4'-P-C4' energy: -90.679 flat angles P-C4'-P energy: -54.135 tors. eta vs tors. theta energy: -91.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1049.494195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.494195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.494195 (E_RNA) where: Base-Base interactions energy: -676.703 where: short stacking energy: -283.662 Base-Backbone interact. energy: -5.478 local terms energy: -367.312773 where: bonds (distance) C4'-P energy: -90.667 bonds (distance) P-C4' energy: -79.247 flat angles C4'-P-C4' energy: -71.477 flat angles P-C4'-P energy: -58.161 tors. eta vs tors. theta energy: -67.761 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: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -880.061908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.061908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.061908 (E_RNA) where: Base-Base interactions energy: -544.492 where: short stacking energy: -261.034 Base-Backbone interact. energy: -1.163 local terms energy: -334.406156 where: bonds (distance) C4'-P energy: -80.643 bonds (distance) P-C4' energy: -81.878 flat angles C4'-P-C4' energy: -73.207 flat angles P-C4'-P energy: -45.378 tors. eta vs tors. theta energy: -53.301 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: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -687.392867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.392867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.392867 (E_RNA) where: Base-Base interactions energy: -417.676 where: short stacking energy: -198.541 Base-Backbone interact. energy: 1.549 local terms energy: -271.266611 where: bonds (distance) C4'-P energy: -64.000 bonds (distance) P-C4' energy: -69.720 flat angles C4'-P-C4' energy: -60.852 flat angles P-C4'-P energy: -46.254 tors. eta vs tors. theta energy: -30.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -502.868088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.868088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.868088 (E_RNA) where: Base-Base interactions energy: -255.285 where: short stacking energy: -158.373 Base-Backbone interact. energy: 1.113 local terms energy: -248.695686 where: bonds (distance) C4'-P energy: -65.637 bonds (distance) P-C4' energy: -83.740 flat angles C4'-P-C4' energy: -62.167 flat angles P-C4'-P energy: -38.681 tors. eta vs tors. theta energy: 1.529 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: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -362.187394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.187394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.187394 (E_RNA) where: Base-Base interactions energy: -140.192 where: short stacking energy: -98.738 Base-Backbone interact. energy: -1.854 local terms energy: -220.141336 where: bonds (distance) C4'-P energy: -70.610 bonds (distance) P-C4' energy: -79.834 flat angles C4'-P-C4' energy: -58.011 flat angles P-C4'-P energy: -32.223 tors. eta vs tors. theta energy: 20.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1551.181699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.181699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.181699 (E_RNA) where: Base-Base interactions energy: -1056.715 where: short stacking energy: -461.415 Base-Backbone interact. energy: -2.649 local terms energy: -491.817862 where: bonds (distance) C4'-P energy: -102.356 bonds (distance) P-C4' energy: -86.194 flat angles C4'-P-C4' energy: -96.102 flat angles P-C4'-P energy: -74.287 tors. eta vs tors. theta energy: -132.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1453.504176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.504176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.504176 (E_RNA) where: Base-Base interactions energy: -949.726 where: short stacking energy: -400.931 Base-Backbone interact. energy: -1.947 local terms energy: -501.831378 where: bonds (distance) C4'-P energy: -89.058 bonds (distance) P-C4' energy: -100.393 flat angles C4'-P-C4' energy: -107.265 flat angles P-C4'-P energy: -71.810 tors. eta vs tors. theta energy: -133.305 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: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1422.990719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.990719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.990719 (E_RNA) where: Base-Base interactions energy: -972.955 where: short stacking energy: -401.790 Base-Backbone interact. energy: -1.497 local terms energy: -448.538793 where: bonds (distance) C4'-P energy: -88.157 bonds (distance) P-C4' energy: -76.744 flat angles C4'-P-C4' energy: -98.376 flat angles P-C4'-P energy: -68.594 tors. eta vs tors. theta energy: -116.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1377.620749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.620749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.620749 (E_RNA) where: Base-Base interactions energy: -952.762 where: short stacking energy: -390.932 Base-Backbone interact. energy: -1.830 local terms energy: -423.029020 where: bonds (distance) C4'-P energy: -78.263 bonds (distance) P-C4' energy: -76.661 flat angles C4'-P-C4' energy: -96.472 flat angles P-C4'-P energy: -59.672 tors. eta vs tors. theta energy: -111.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1217.640930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.640930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.640930 (E_RNA) where: Base-Base interactions energy: -828.768 where: short stacking energy: -352.425 Base-Backbone interact. energy: -1.645 local terms energy: -387.228605 where: bonds (distance) C4'-P energy: -73.038 bonds (distance) P-C4' energy: -74.842 flat angles C4'-P-C4' energy: -97.652 flat angles P-C4'-P energy: -52.492 tors. eta vs tors. theta energy: -89.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1086.406329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.406329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.406329 (E_RNA) where: Base-Base interactions energy: -714.754 where: short stacking energy: -319.047 Base-Backbone interact. energy: -1.953 local terms energy: -369.699157 where: bonds (distance) C4'-P energy: -64.271 bonds (distance) P-C4' energy: -77.135 flat angles C4'-P-C4' energy: -86.861 flat angles P-C4'-P energy: -60.595 tors. eta vs tors. theta energy: -80.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -825.203496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.203496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.203496 (E_RNA) where: Base-Base interactions energy: -492.589 where: short stacking energy: -216.939 Base-Backbone interact. energy: -1.492 local terms energy: -331.122978 where: bonds (distance) C4'-P energy: -83.235 bonds (distance) P-C4' energy: -80.537 flat angles C4'-P-C4' energy: -79.910 flat angles P-C4'-P energy: -49.868 tors. eta vs tors. theta energy: -37.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -678.205941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.205941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.205941 (E_RNA) where: Base-Base interactions energy: -385.610 where: short stacking energy: -174.156 Base-Backbone interact. energy: -1.722 local terms energy: -290.874718 where: bonds (distance) C4'-P energy: -81.065 bonds (distance) P-C4' energy: -74.959 flat angles C4'-P-C4' energy: -64.441 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -22.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -514.194787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.194787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.194787 (E_RNA) where: Base-Base interactions energy: -238.668 where: short stacking energy: -143.111 Base-Backbone interact. energy: 1.051 local terms energy: -276.578145 where: bonds (distance) C4'-P energy: -80.789 bonds (distance) P-C4' energy: -84.757 flat angles C4'-P-C4' energy: -80.191 flat angles P-C4'-P energy: -33.866 tors. eta vs tors. theta energy: 3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -389.808468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.808468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.808468 (E_RNA) where: Base-Base interactions energy: -169.187 where: short stacking energy: -104.296 Base-Backbone interact. energy: 3.211 local terms energy: -223.832173 where: bonds (distance) C4'-P energy: -57.456 bonds (distance) P-C4' energy: -70.034 flat angles C4'-P-C4' energy: -70.838 flat angles P-C4'-P energy: -37.259 tors. eta vs tors. theta energy: 11.756 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: 4 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1553.554254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.554254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.554254 (E_RNA) where: Base-Base interactions energy: -1044.029 where: short stacking energy: -432.940 Base-Backbone interact. energy: -3.130 local terms energy: -506.394970 where: bonds (distance) C4'-P energy: -91.660 bonds (distance) P-C4' energy: -96.084 flat angles C4'-P-C4' energy: -105.016 flat angles P-C4'-P energy: -79.318 tors. eta vs tors. theta energy: -134.317 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: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1476.130561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.130561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.130561 (E_RNA) where: Base-Base interactions energy: -1008.837 where: short stacking energy: -410.107 Base-Backbone interact. energy: -2.151 local terms energy: -465.142629 where: bonds (distance) C4'-P energy: -90.852 bonds (distance) P-C4' energy: -88.253 flat angles C4'-P-C4' energy: -98.378 flat angles P-C4'-P energy: -66.418 tors. eta vs tors. theta energy: -121.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1426.360829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.360829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.360829 (E_RNA) where: Base-Base interactions energy: -972.284 where: short stacking energy: -416.137 Base-Backbone interact. energy: -0.106 local terms energy: -453.970904 where: bonds (distance) C4'-P energy: -80.170 bonds (distance) P-C4' energy: -85.767 flat angles C4'-P-C4' energy: -102.423 flat angles P-C4'-P energy: -65.002 tors. eta vs tors. theta energy: -120.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1341.718239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.718239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.718239 (E_RNA) where: Base-Base interactions energy: -905.670 where: short stacking energy: -373.923 Base-Backbone interact. energy: -1.670 local terms energy: -434.378124 where: bonds (distance) C4'-P energy: -92.140 bonds (distance) P-C4' energy: -89.626 flat angles C4'-P-C4' energy: -89.324 flat angles P-C4'-P energy: -60.093 tors. eta vs tors. theta energy: -103.195 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: 5, replica: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1207.758182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.758182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.758182 (E_RNA) where: Base-Base interactions energy: -798.822 where: short stacking energy: -338.326 Base-Backbone interact. energy: -4.910 local terms energy: -404.026496 where: bonds (distance) C4'-P energy: -75.203 bonds (distance) P-C4' energy: -80.763 flat angles C4'-P-C4' energy: -89.520 flat angles P-C4'-P energy: -68.742 tors. eta vs tors. theta energy: -89.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1083.094239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.094239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.094239 (E_RNA) where: Base-Base interactions energy: -711.196 where: short stacking energy: -297.174 Base-Backbone interact. energy: -3.261 local terms energy: -368.637794 where: bonds (distance) C4'-P energy: -80.953 bonds (distance) P-C4' energy: -72.669 flat angles C4'-P-C4' energy: -80.403 flat angles P-C4'-P energy: -47.635 tors. eta vs tors. theta energy: -86.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -849.504009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.504009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.504009 (E_RNA) where: Base-Base interactions energy: -521.982 where: short stacking energy: -266.415 Base-Backbone interact. energy: -0.867 local terms energy: -326.654343 where: bonds (distance) C4'-P energy: -73.673 bonds (distance) P-C4' energy: -77.535 flat angles C4'-P-C4' energy: -70.654 flat angles P-C4'-P energy: -41.459 tors. eta vs tors. theta energy: -63.334 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: 99 Temperature: 1.250000 Total energy: -688.544947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.544947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.544947 (E_RNA) where: Base-Base interactions energy: -371.697 where: short stacking energy: -177.555 Base-Backbone interact. energy: -2.262 local terms energy: -314.586009 where: bonds (distance) C4'-P energy: -65.153 bonds (distance) P-C4' energy: -82.042 flat angles C4'-P-C4' energy: -84.355 flat angles P-C4'-P energy: -47.582 tors. eta vs tors. theta energy: -35.454 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: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -497.344601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.344601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.344601 (E_RNA) where: Base-Base interactions energy: -230.824 where: short stacking energy: -128.694 Base-Backbone interact. energy: -1.399 local terms energy: -265.121802 where: bonds (distance) C4'-P energy: -74.873 bonds (distance) P-C4' energy: -65.712 flat angles C4'-P-C4' energy: -68.812 flat angles P-C4'-P energy: -47.639 tors. eta vs tors. theta energy: -8.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -343.155608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.155608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.155608 (E_RNA) where: Base-Base interactions energy: -125.073 where: short stacking energy: -101.356 Base-Backbone interact. energy: -3.083 local terms energy: -214.999543 where: bonds (distance) C4'-P energy: -77.291 bonds (distance) P-C4' energy: -67.467 flat angles C4'-P-C4' energy: -68.896 flat angles P-C4'-P energy: -19.591 tors. eta vs tors. theta energy: 18.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1555.190247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.190247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.190247 (E_RNA) where: Base-Base interactions energy: -1064.657 where: short stacking energy: -434.305 Base-Backbone interact. energy: -2.051 local terms energy: -488.481669 where: bonds (distance) C4'-P energy: -90.000 bonds (distance) P-C4' energy: -90.481 flat angles C4'-P-C4' energy: -106.896 flat angles P-C4'-P energy: -68.186 tors. eta vs tors. theta energy: -132.919 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: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1489.394986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.394986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.394986 (E_RNA) where: Base-Base interactions energy: -1022.275 where: short stacking energy: -435.883 Base-Backbone interact. energy: -0.298 local terms energy: -466.822038 where: bonds (distance) C4'-P energy: -84.355 bonds (distance) P-C4' energy: -90.082 flat angles C4'-P-C4' energy: -105.367 flat angles P-C4'-P energy: -57.835 tors. eta vs tors. theta energy: -129.183 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: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1392.227086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.227086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.227086 (E_RNA) where: Base-Base interactions energy: -934.337 where: short stacking energy: -412.619 Base-Backbone interact. energy: -1.410 local terms energy: -456.480350 where: bonds (distance) C4'-P energy: -84.572 bonds (distance) P-C4' energy: -82.245 flat angles C4'-P-C4' energy: -101.449 flat angles P-C4'-P energy: -69.030 tors. eta vs tors. theta energy: -119.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1343.367556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.367556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.367556 (E_RNA) where: Base-Base interactions energy: -936.037 where: short stacking energy: -380.026 Base-Backbone interact. energy: -0.226 local terms energy: -407.104120 where: bonds (distance) C4'-P energy: -75.287 bonds (distance) P-C4' energy: -86.379 flat angles C4'-P-C4' energy: -88.272 flat angles P-C4'-P energy: -46.797 tors. eta vs tors. theta energy: -110.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1253.686528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.686528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.686528 (E_RNA) where: Base-Base interactions energy: -843.666 where: short stacking energy: -361.519 Base-Backbone interact. energy: 1.704 local terms energy: -411.725097 where: bonds (distance) C4'-P energy: -77.217 bonds (distance) P-C4' energy: -81.811 flat angles C4'-P-C4' energy: -90.655 flat angles P-C4'-P energy: -66.230 tors. eta vs tors. theta energy: -95.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1103.726520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.726520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.726520 (E_RNA) where: Base-Base interactions energy: -739.681 where: short stacking energy: -290.588 Base-Backbone interact. energy: -1.346 local terms energy: -362.699772 where: bonds (distance) C4'-P energy: -75.513 bonds (distance) P-C4' energy: -69.627 flat angles C4'-P-C4' energy: -88.764 flat angles P-C4'-P energy: -49.821 tors. eta vs tors. theta energy: -78.974 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: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -819.587460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.587460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.587460 (E_RNA) where: Base-Base interactions energy: -496.921 where: short stacking energy: -236.448 Base-Backbone interact. energy: -2.321 local terms energy: -320.345203 where: bonds (distance) C4'-P energy: -78.290 bonds (distance) P-C4' energy: -81.664 flat angles C4'-P-C4' energy: -74.018 flat angles P-C4'-P energy: -43.856 tors. eta vs tors. theta energy: -42.517 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: 8, replica: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -639.018970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.018970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.018970 (E_RNA) where: Base-Base interactions energy: -314.705 where: short stacking energy: -163.977 Base-Backbone interact. energy: -2.414 local terms energy: -321.900298 where: bonds (distance) C4'-P energy: -84.977 bonds (distance) P-C4' energy: -85.329 flat angles C4'-P-C4' energy: -89.674 flat angles P-C4'-P energy: -41.846 tors. eta vs tors. theta energy: -20.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -501.585780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.585780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.585780 (E_RNA) where: Base-Base interactions energy: -232.620 where: short stacking energy: -149.934 Base-Backbone interact. energy: -0.440 local terms energy: -268.526153 where: bonds (distance) C4'-P energy: -69.419 bonds (distance) P-C4' energy: -66.727 flat angles C4'-P-C4' energy: -71.392 flat angles P-C4'-P energy: -43.829 tors. eta vs tors. theta energy: -17.159 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: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -355.753581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.753581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.753581 (E_RNA) where: Base-Base interactions energy: -122.164 where: short stacking energy: -94.501 Base-Backbone interact. energy: -2.852 local terms energy: -230.738099 where: bonds (distance) C4'-P energy: -74.707 bonds (distance) P-C4' energy: -77.677 flat angles C4'-P-C4' energy: -75.016 flat angles P-C4'-P energy: -29.401 tors. eta vs tors. theta energy: 26.063 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: 4 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1560.170524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.170524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.170524 (E_RNA) where: Base-Base interactions energy: -1069.431 where: short stacking energy: -449.727 Base-Backbone interact. energy: -2.934 local terms energy: -487.805295 where: bonds (distance) C4'-P energy: -91.548 bonds (distance) P-C4' energy: -91.898 flat angles C4'-P-C4' energy: -105.244 flat angles P-C4'-P energy: -67.323 tors. eta vs tors. theta energy: -131.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1483.038767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.038767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.038767 (E_RNA) where: Base-Base interactions energy: -1010.989 where: short stacking energy: -435.073 Base-Backbone interact. energy: -1.453 local terms energy: -470.596296 where: bonds (distance) C4'-P energy: -78.158 bonds (distance) P-C4' energy: -90.556 flat angles C4'-P-C4' energy: -100.402 flat angles P-C4'-P energy: -68.909 tors. eta vs tors. theta energy: -132.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1428.075386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.075386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.075386 (E_RNA) where: Base-Base interactions energy: -983.090 where: short stacking energy: -431.529 Base-Backbone interact. energy: -0.633 local terms energy: -444.352442 where: bonds (distance) C4'-P energy: -67.714 bonds (distance) P-C4' energy: -101.838 flat angles C4'-P-C4' energy: -97.064 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -123.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1363.329516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.329516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.329516 (E_RNA) where: Base-Base interactions energy: -926.222 where: short stacking energy: -370.176 Base-Backbone interact. energy: -1.133 local terms energy: -435.974341 where: bonds (distance) C4'-P energy: -80.817 bonds (distance) P-C4' energy: -90.427 flat angles C4'-P-C4' energy: -93.483 flat angles P-C4'-P energy: -57.792 tors. eta vs tors. theta energy: -113.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1267.900420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.900420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.900420 (E_RNA) where: Base-Base interactions energy: -861.135 where: short stacking energy: -371.133 Base-Backbone interact. energy: -0.433 local terms energy: -406.332273 where: bonds (distance) C4'-P energy: -69.004 bonds (distance) P-C4' energy: -85.341 flat angles C4'-P-C4' energy: -98.342 flat angles P-C4'-P energy: -55.263 tors. eta vs tors. theta energy: -98.382 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: 3 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1086.714737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.714737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.714737 (E_RNA) where: Base-Base interactions energy: -719.089 where: short stacking energy: -323.088 Base-Backbone interact. energy: 0.630 local terms energy: -368.255571 where: bonds (distance) C4'-P energy: -77.867 bonds (distance) P-C4' energy: -87.238 flat angles C4'-P-C4' energy: -69.712 flat angles P-C4'-P energy: -52.393 tors. eta vs tors. theta energy: -81.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -814.466034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.466034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.466034 (E_RNA) where: Base-Base interactions energy: -477.863 where: short stacking energy: -231.726 Base-Backbone interact. energy: -1.392 local terms energy: -335.211218 where: bonds (distance) C4'-P energy: -73.633 bonds (distance) P-C4' energy: -79.102 flat angles C4'-P-C4' energy: -83.998 flat angles P-C4'-P energy: -66.328 tors. eta vs tors. theta energy: -32.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -636.284913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.284913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.284913 (E_RNA) where: Base-Base interactions energy: -336.497 where: short stacking energy: -185.045 Base-Backbone interact. energy: 0.226 local terms energy: -300.013632 where: bonds (distance) C4'-P energy: -78.407 bonds (distance) P-C4' energy: -71.155 flat angles C4'-P-C4' energy: -75.622 flat angles P-C4'-P energy: -46.407 tors. eta vs tors. theta energy: -28.423 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: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -535.843139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.843139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.843139 (E_RNA) where: Base-Base interactions energy: -242.286 where: short stacking energy: -157.544 Base-Backbone interact. energy: -2.408 local terms energy: -291.148976 where: bonds (distance) C4'-P energy: -81.073 bonds (distance) P-C4' energy: -89.289 flat angles C4'-P-C4' energy: -61.806 flat angles P-C4'-P energy: -48.498 tors. eta vs tors. theta energy: -10.483 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: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -464.027103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.027103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.027103 (E_RNA) where: Base-Base interactions energy: -223.659 where: short stacking energy: -120.814 Base-Backbone interact. energy: -3.239 local terms energy: -237.128704 where: bonds (distance) C4'-P energy: -69.386 bonds (distance) P-C4' energy: -79.049 flat angles C4'-P-C4' energy: -51.893 flat angles P-C4'-P energy: -47.329 tors. eta vs tors. theta energy: 10.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1550.353691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.353691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.353691 (E_RNA) where: Base-Base interactions energy: -1050.458 where: short stacking energy: -443.924 Base-Backbone interact. energy: 2.697 local terms energy: -502.592414 where: bonds (distance) C4'-P energy: -103.456 bonds (distance) P-C4' energy: -83.023 flat angles C4'-P-C4' energy: -98.864 flat angles P-C4'-P energy: -75.044 tors. eta vs tors. theta energy: -142.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1482.642502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.642502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.642502 (E_RNA) where: Base-Base interactions energy: -1011.439 where: short stacking energy: -439.749 Base-Backbone interact. energy: 1.083 local terms energy: -472.286245 where: bonds (distance) C4'-P energy: -89.679 bonds (distance) P-C4' energy: -90.770 flat angles C4'-P-C4' energy: -106.206 flat angles P-C4'-P energy: -57.842 tors. eta vs tors. theta energy: -127.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1405.879447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.879447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.879447 (E_RNA) where: Base-Base interactions energy: -953.242 where: short stacking energy: -424.397 Base-Backbone interact. energy: -3.373 local terms energy: -449.264915 where: bonds (distance) C4'-P energy: -86.002 bonds (distance) P-C4' energy: -79.816 flat angles C4'-P-C4' energy: -96.942 flat angles P-C4'-P energy: -65.880 tors. eta vs tors. theta energy: -120.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1362.567942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.567942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.567942 (E_RNA) where: Base-Base interactions energy: -932.521 where: short stacking energy: -380.200 Base-Backbone interact. energy: -1.289 local terms energy: -428.758128 where: bonds (distance) C4'-P energy: -90.832 bonds (distance) P-C4' energy: -80.266 flat angles C4'-P-C4' energy: -88.565 flat angles P-C4'-P energy: -55.321 tors. eta vs tors. theta energy: -113.774 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: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1233.700082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.700082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.700082 (E_RNA) where: Base-Base interactions energy: -839.704 where: short stacking energy: -361.640 Base-Backbone interact. energy: -0.737 local terms energy: -393.259681 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -91.967 flat angles C4'-P-C4' energy: -91.596 flat angles P-C4'-P energy: -53.337 tors. eta vs tors. theta energy: -96.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1075.349768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.349768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.349768 (E_RNA) where: Base-Base interactions energy: -715.668 where: short stacking energy: -298.346 Base-Backbone interact. energy: 0.036 local terms energy: -359.718138 where: bonds (distance) C4'-P energy: -83.110 bonds (distance) P-C4' energy: -73.159 flat angles C4'-P-C4' energy: -80.878 flat angles P-C4'-P energy: -41.051 tors. eta vs tors. theta energy: -81.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -838.305455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.305455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.305455 (E_RNA) where: Base-Base interactions energy: -471.525 where: short stacking energy: -224.728 Base-Backbone interact. energy: 0.203 local terms energy: -366.983936 where: bonds (distance) C4'-P energy: -75.297 bonds (distance) P-C4' energy: -97.352 flat angles C4'-P-C4' energy: -90.311 flat angles P-C4'-P energy: -58.097 tors. eta vs tors. theta energy: -45.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -623.876643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.876643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.876643 (E_RNA) where: Base-Base interactions energy: -311.998 where: short stacking energy: -163.153 Base-Backbone interact. energy: -0.439 local terms energy: -311.439676 where: bonds (distance) C4'-P energy: -82.805 bonds (distance) P-C4' energy: -64.748 flat angles C4'-P-C4' energy: -87.972 flat angles P-C4'-P energy: -54.411 tors. eta vs tors. theta energy: -21.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -541.158610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.158610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.158610 (E_RNA) where: Base-Base interactions energy: -280.161 where: short stacking energy: -158.016 Base-Backbone interact. energy: -0.245 local terms energy: -260.752417 where: bonds (distance) C4'-P energy: -73.557 bonds (distance) P-C4' energy: -81.923 flat angles C4'-P-C4' energy: -75.565 flat angles P-C4'-P energy: -29.084 tors. eta vs tors. theta energy: -0.623 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: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -480.448233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.448233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.448233 (E_RNA) where: Base-Base interactions energy: -238.750 where: short stacking energy: -130.729 Base-Backbone interact. energy: -1.439 local terms energy: -240.259182 where: bonds (distance) C4'-P energy: -66.457 bonds (distance) P-C4' energy: -84.585 flat angles C4'-P-C4' energy: -56.403 flat angles P-C4'-P energy: -31.879 tors. eta vs tors. theta energy: -0.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1560.274692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.274692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.274692 (E_RNA) where: Base-Base interactions energy: -1078.617 where: short stacking energy: -451.768 Base-Backbone interact. energy: 0.532 local terms energy: -482.189622 where: bonds (distance) C4'-P energy: -97.941 bonds (distance) P-C4' energy: -77.139 flat angles C4'-P-C4' energy: -107.580 flat angles P-C4'-P energy: -66.753 tors. eta vs tors. theta energy: -132.777 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: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1467.777570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.777570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.777570 (E_RNA) where: Base-Base interactions energy: -981.074 where: short stacking energy: -408.568 Base-Backbone interact. energy: -1.786 local terms energy: -484.917569 where: bonds (distance) C4'-P energy: -99.222 bonds (distance) P-C4' energy: -84.712 flat angles C4'-P-C4' energy: -102.160 flat angles P-C4'-P energy: -71.763 tors. eta vs tors. theta energy: -127.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1415.695778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.695778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.695778 (E_RNA) where: Base-Base interactions energy: -950.014 where: short stacking energy: -410.461 Base-Backbone interact. energy: -0.410 local terms energy: -465.271742 where: bonds (distance) C4'-P energy: -92.494 bonds (distance) P-C4' energy: -87.251 flat angles C4'-P-C4' energy: -101.993 flat angles P-C4'-P energy: -66.257 tors. eta vs tors. theta energy: -117.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1365.091332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.091332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.091332 (E_RNA) where: Base-Base interactions energy: -923.098 where: short stacking energy: -388.635 Base-Backbone interact. energy: -0.417 local terms energy: -441.575664 where: bonds (distance) C4'-P energy: -82.333 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -100.951 flat angles P-C4'-P energy: -58.595 tors. eta vs tors. theta energy: -118.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1207.767609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.767609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.767609 (E_RNA) where: Base-Base interactions energy: -798.423 where: short stacking energy: -368.932 Base-Backbone interact. energy: -2.710 local terms energy: -406.634601 where: bonds (distance) C4'-P energy: -82.382 bonds (distance) P-C4' energy: -84.858 flat angles C4'-P-C4' energy: -87.083 flat angles P-C4'-P energy: -61.690 tors. eta vs tors. theta energy: -90.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1107.782347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.782347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.782347 (E_RNA) where: Base-Base interactions energy: -728.092 where: short stacking energy: -312.750 Base-Backbone interact. energy: -1.157 local terms energy: -378.533987 where: bonds (distance) C4'-P energy: -64.156 bonds (distance) P-C4' energy: -86.905 flat angles C4'-P-C4' energy: -90.846 flat angles P-C4'-P energy: -43.990 tors. eta vs tors. theta energy: -92.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -829.211614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.211614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.211614 (E_RNA) where: Base-Base interactions energy: -495.998 where: short stacking energy: -252.361 Base-Backbone interact. energy: 2.991 local terms energy: -336.205391 where: bonds (distance) C4'-P energy: -77.639 bonds (distance) P-C4' energy: -82.692 flat angles C4'-P-C4' energy: -63.257 flat angles P-C4'-P energy: -59.247 tors. eta vs tors. theta energy: -53.370 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: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -634.538816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.538816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.538816 (E_RNA) where: Base-Base interactions energy: -364.750 where: short stacking energy: -171.708 Base-Backbone interact. energy: -1.244 local terms energy: -268.545224 where: bonds (distance) C4'-P energy: -76.942 bonds (distance) P-C4' energy: -85.929 flat angles C4'-P-C4' energy: -75.467 flat angles P-C4'-P energy: -17.979 tors. eta vs tors. theta energy: -12.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -511.351521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.351521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.351521 (E_RNA) where: Base-Base interactions energy: -223.070 where: short stacking energy: -127.620 Base-Backbone interact. energy: -2.730 local terms energy: -285.551201 where: bonds (distance) C4'-P energy: -76.553 bonds (distance) P-C4' energy: -86.028 flat angles C4'-P-C4' energy: -66.521 flat angles P-C4'-P energy: -51.004 tors. eta vs tors. theta energy: -5.445 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: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -485.131961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.131961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.131961 (E_RNA) where: Base-Base interactions energy: -203.664 where: short stacking energy: -130.595 Base-Backbone interact. energy: 1.569 local terms energy: -283.037171 where: bonds (distance) C4'-P energy: -86.044 bonds (distance) P-C4' energy: -66.489 flat angles C4'-P-C4' energy: -66.108 flat angles P-C4'-P energy: -51.914 tors. eta vs tors. theta energy: -12.482 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: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1565.443833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.443833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.443833 (E_RNA) where: Base-Base interactions energy: -1077.686 where: short stacking energy: -437.933 Base-Backbone interact. energy: -1.185 local terms energy: -486.573303 where: bonds (distance) C4'-P energy: -88.755 bonds (distance) P-C4' energy: -84.932 flat angles C4'-P-C4' energy: -107.012 flat angles P-C4'-P energy: -70.770 tors. eta vs tors. theta energy: -135.105 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: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1486.327898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.327898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.327898 (E_RNA) where: Base-Base interactions energy: -1004.023 where: short stacking energy: -430.578 Base-Backbone interact. energy: -2.473 local terms energy: -479.831951 where: bonds (distance) C4'-P energy: -86.887 bonds (distance) P-C4' energy: -103.594 flat angles C4'-P-C4' energy: -99.121 flat angles P-C4'-P energy: -64.040 tors. eta vs tors. theta energy: -126.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1420.649599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.649599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.649599 (E_RNA) where: Base-Base interactions energy: -946.596 where: short stacking energy: -405.059 Base-Backbone interact. energy: 2.577 local terms energy: -476.631314 where: bonds (distance) C4'-P energy: -90.199 bonds (distance) P-C4' energy: -87.607 flat angles C4'-P-C4' energy: -107.140 flat angles P-C4'-P energy: -69.043 tors. eta vs tors. theta energy: -122.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1386.932282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.932282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.932282 (E_RNA) where: Base-Base interactions energy: -936.071 where: short stacking energy: -406.146 Base-Backbone interact. energy: -1.098 local terms energy: -449.763586 where: bonds (distance) C4'-P energy: -83.372 bonds (distance) P-C4' energy: -82.996 flat angles C4'-P-C4' energy: -95.970 flat angles P-C4'-P energy: -60.836 tors. eta vs tors. theta energy: -126.589 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: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1209.261309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.261309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.261309 (E_RNA) where: Base-Base interactions energy: -812.188 where: short stacking energy: -339.345 Base-Backbone interact. energy: -1.978 local terms energy: -395.095729 where: bonds (distance) C4'-P energy: -76.889 bonds (distance) P-C4' energy: -83.906 flat angles C4'-P-C4' energy: -81.082 flat angles P-C4'-P energy: -59.253 tors. eta vs tors. theta energy: -93.966 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: 3 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1182.884993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.884993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.884993 (E_RNA) where: Base-Base interactions energy: -774.220 where: short stacking energy: -357.138 Base-Backbone interact. energy: -1.384 local terms energy: -407.280986 where: bonds (distance) C4'-P energy: -81.159 bonds (distance) P-C4' energy: -78.428 flat angles C4'-P-C4' energy: -92.630 flat angles P-C4'-P energy: -41.738 tors. eta vs tors. theta energy: -113.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -854.357993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.357993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.357993 (E_RNA) where: Base-Base interactions energy: -515.975 where: short stacking energy: -231.061 Base-Backbone interact. energy: -1.596 local terms energy: -336.787022 where: bonds (distance) C4'-P energy: -74.548 bonds (distance) P-C4' energy: -83.824 flat angles C4'-P-C4' energy: -85.996 flat angles P-C4'-P energy: -45.802 tors. eta vs tors. theta energy: -46.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -634.238833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.238833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.238833 (E_RNA) where: Base-Base interactions energy: -336.677 where: short stacking energy: -168.772 Base-Backbone interact. energy: 1.232 local terms energy: -298.794405 where: bonds (distance) C4'-P energy: -75.681 bonds (distance) P-C4' energy: -76.145 flat angles C4'-P-C4' energy: -73.193 flat angles P-C4'-P energy: -56.001 tors. eta vs tors. theta energy: -17.774 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: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -546.316113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.316113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.316113 (E_RNA) where: Base-Base interactions energy: -259.016 where: short stacking energy: -128.937 Base-Backbone interact. energy: 1.831 local terms energy: -289.131166 where: bonds (distance) C4'-P energy: -84.378 bonds (distance) P-C4' energy: -86.644 flat angles C4'-P-C4' energy: -70.677 flat angles P-C4'-P energy: -53.571 tors. eta vs tors. theta energy: 6.140 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: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -444.699657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.699657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.699657 (E_RNA) where: Base-Base interactions energy: -187.486 where: short stacking energy: -112.740 Base-Backbone interact. energy: 0.961 local terms energy: -258.174235 where: bonds (distance) C4'-P energy: -64.799 bonds (distance) P-C4' energy: -78.462 flat angles C4'-P-C4' energy: -80.278 flat angles P-C4'-P energy: -48.596 tors. eta vs tors. theta energy: 13.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1555.001405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.001405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.001405 (E_RNA) where: Base-Base interactions energy: -1058.707 where: short stacking energy: -424.041 Base-Backbone interact. energy: -2.983 local terms energy: -493.311912 where: bonds (distance) C4'-P energy: -95.617 bonds (distance) P-C4' energy: -99.541 flat angles C4'-P-C4' energy: -105.828 flat angles P-C4'-P energy: -68.698 tors. eta vs tors. theta energy: -123.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1467.144063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.144063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.144063 (E_RNA) where: Base-Base interactions energy: -980.165 where: short stacking energy: -418.004 Base-Backbone interact. energy: -1.136 local terms energy: -485.843304 where: bonds (distance) C4'-P energy: -88.311 bonds (distance) P-C4' energy: -93.017 flat angles C4'-P-C4' energy: -106.212 flat angles P-C4'-P energy: -70.823 tors. eta vs tors. theta energy: -127.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1452.495367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.495367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.495367 (E_RNA) where: Base-Base interactions energy: -989.447 where: short stacking energy: -422.836 Base-Backbone interact. energy: -1.752 local terms energy: -461.295924 where: bonds (distance) C4'-P energy: -91.185 bonds (distance) P-C4' energy: -79.553 flat angles C4'-P-C4' energy: -100.783 flat angles P-C4'-P energy: -64.172 tors. eta vs tors. theta energy: -125.603 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: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1382.203779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.203779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.203779 (E_RNA) where: Base-Base interactions energy: -936.720 where: short stacking energy: -412.728 Base-Backbone interact. energy: -0.742 local terms energy: -444.742381 where: bonds (distance) C4'-P energy: -83.116 bonds (distance) P-C4' energy: -84.915 flat angles C4'-P-C4' energy: -90.976 flat angles P-C4'-P energy: -65.389 tors. eta vs tors. theta energy: -120.346 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: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1239.966742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.966742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.966742 (E_RNA) where: Base-Base interactions energy: -830.442 where: short stacking energy: -357.064 Base-Backbone interact. energy: 1.397 local terms energy: -410.922604 where: bonds (distance) C4'-P energy: -83.034 bonds (distance) P-C4' energy: -81.153 flat angles C4'-P-C4' energy: -89.163 flat angles P-C4'-P energy: -58.479 tors. eta vs tors. theta energy: -99.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1143.058315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.058315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.058315 (E_RNA) where: Base-Base interactions energy: -738.594 where: short stacking energy: -324.831 Base-Backbone interact. energy: -0.081 local terms energy: -404.384093 where: bonds (distance) C4'-P energy: -81.998 bonds (distance) P-C4' energy: -77.452 flat angles C4'-P-C4' energy: -94.975 flat angles P-C4'-P energy: -59.467 tors. eta vs tors. theta energy: -90.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -823.544928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.544928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.544928 (E_RNA) where: Base-Base interactions energy: -485.535 where: short stacking energy: -235.772 Base-Backbone interact. energy: -0.425 local terms energy: -337.584902 where: bonds (distance) C4'-P energy: -63.679 bonds (distance) P-C4' energy: -81.434 flat angles C4'-P-C4' energy: -78.506 flat angles P-C4'-P energy: -54.303 tors. eta vs tors. theta energy: -59.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -659.724767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.724767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.724767 (E_RNA) where: Base-Base interactions energy: -357.788 where: short stacking energy: -180.137 Base-Backbone interact. energy: -0.782 local terms energy: -301.154848 where: bonds (distance) C4'-P energy: -81.480 bonds (distance) P-C4' energy: -74.551 flat angles C4'-P-C4' energy: -88.807 flat angles P-C4'-P energy: -41.992 tors. eta vs tors. theta energy: -14.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -544.107785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.107785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.107785 (E_RNA) where: Base-Base interactions energy: -283.680 where: short stacking energy: -143.527 Base-Backbone interact. energy: -1.963 local terms energy: -258.465103 where: bonds (distance) C4'-P energy: -75.300 bonds (distance) P-C4' energy: -70.769 flat angles C4'-P-C4' energy: -72.160 flat angles P-C4'-P energy: -34.064 tors. eta vs tors. theta energy: -6.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -443.829159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.829159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.829159 (E_RNA) where: Base-Base interactions energy: -220.060 where: short stacking energy: -119.204 Base-Backbone interact. energy: 2.538 local terms energy: -226.306547 where: bonds (distance) C4'-P energy: -56.944 bonds (distance) P-C4' energy: -70.503 flat angles C4'-P-C4' energy: -73.348 flat angles P-C4'-P energy: -26.233 tors. eta vs tors. theta energy: 0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1546.452778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.452778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.452778 (E_RNA) where: Base-Base interactions energy: -1067.587 where: short stacking energy: -446.481 Base-Backbone interact. energy: -3.385 local terms energy: -475.481130 where: bonds (distance) C4'-P energy: -91.926 bonds (distance) P-C4' energy: -85.718 flat angles C4'-P-C4' energy: -102.516 flat angles P-C4'-P energy: -68.914 tors. eta vs tors. theta energy: -126.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1481.692845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.692845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.692845 (E_RNA) where: Base-Base interactions energy: -1011.168 where: short stacking energy: -432.160 Base-Backbone interact. energy: 0.868 local terms energy: -471.392415 where: bonds (distance) C4'-P energy: -92.383 bonds (distance) P-C4' energy: -97.045 flat angles C4'-P-C4' energy: -90.226 flat angles P-C4'-P energy: -63.357 tors. eta vs tors. theta energy: -128.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1453.060223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.060223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.060223 (E_RNA) where: Base-Base interactions energy: -997.039 where: short stacking energy: -434.450 Base-Backbone interact. energy: -1.087 local terms energy: -454.934002 where: bonds (distance) C4'-P energy: -98.019 bonds (distance) P-C4' energy: -86.575 flat angles C4'-P-C4' energy: -85.204 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -122.420 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: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1365.614113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.614113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.614113 (E_RNA) where: Base-Base interactions energy: -924.317 where: short stacking energy: -370.494 Base-Backbone interact. energy: -1.575 local terms energy: -439.721991 where: bonds (distance) C4'-P energy: -75.715 bonds (distance) P-C4' energy: -98.187 flat angles C4'-P-C4' energy: -96.948 flat angles P-C4'-P energy: -55.974 tors. eta vs tors. theta energy: -112.899 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: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1161.395875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.395875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.395875 (E_RNA) where: Base-Base interactions energy: -743.060 where: short stacking energy: -327.503 Base-Backbone interact. energy: -0.443 local terms energy: -417.892014 where: bonds (distance) C4'-P energy: -86.171 bonds (distance) P-C4' energy: -90.255 flat angles C4'-P-C4' energy: -89.880 flat angles P-C4'-P energy: -56.513 tors. eta vs tors. theta energy: -95.073 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: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1133.579247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.579247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.579247 (E_RNA) where: Base-Base interactions energy: -743.015 where: short stacking energy: -342.659 Base-Backbone interact. energy: -1.477 local terms energy: -389.087220 where: bonds (distance) C4'-P energy: -74.063 bonds (distance) P-C4' energy: -94.776 flat angles C4'-P-C4' energy: -90.752 flat angles P-C4'-P energy: -45.668 tors. eta vs tors. theta energy: -83.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -773.585617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.585617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.585617 (E_RNA) where: Base-Base interactions energy: -457.543 where: short stacking energy: -243.183 Base-Backbone interact. energy: -2.174 local terms energy: -313.869250 where: bonds (distance) C4'-P energy: -75.837 bonds (distance) P-C4' energy: -89.518 flat angles C4'-P-C4' energy: -77.438 flat angles P-C4'-P energy: -28.708 tors. eta vs tors. theta energy: -42.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -642.585612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.585612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.585612 (E_RNA) where: Base-Base interactions energy: -345.593 where: short stacking energy: -179.703 Base-Backbone interact. energy: -0.826 local terms energy: -296.166829 where: bonds (distance) C4'-P energy: -85.139 bonds (distance) P-C4' energy: -72.689 flat angles C4'-P-C4' energy: -67.647 flat angles P-C4'-P energy: -43.773 tors. eta vs tors. theta energy: -26.919 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: 1 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -488.919324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.919324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.919324 (E_RNA) where: Base-Base interactions energy: -229.296 where: short stacking energy: -143.847 Base-Backbone interact. energy: -1.297 local terms energy: -258.326789 where: bonds (distance) C4'-P energy: -66.805 bonds (distance) P-C4' energy: -81.994 flat angles C4'-P-C4' energy: -72.443 flat angles P-C4'-P energy: -47.349 tors. eta vs tors. theta energy: 10.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -513.583909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.583909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.583909 (E_RNA) where: Base-Base interactions energy: -287.626 where: short stacking energy: -160.755 Base-Backbone interact. energy: -1.906 local terms energy: -224.052280 where: bonds (distance) C4'-P energy: -50.014 bonds (distance) P-C4' energy: -76.580 flat angles C4'-P-C4' energy: -73.602 flat angles P-C4'-P energy: -23.193 tors. eta vs tors. theta energy: -0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1536.729383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.729383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.729383 (E_RNA) where: Base-Base interactions energy: -1060.852 where: short stacking energy: -448.709 Base-Backbone interact. energy: -1.910 local terms energy: -473.968139 where: bonds (distance) C4'-P energy: -81.962 bonds (distance) P-C4' energy: -93.666 flat angles C4'-P-C4' energy: -101.765 flat angles P-C4'-P energy: -71.055 tors. eta vs tors. theta energy: -125.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1496.798193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.798193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.798193 (E_RNA) where: Base-Base interactions energy: -1027.477 where: short stacking energy: -443.901 Base-Backbone interact. energy: 7.058 local terms energy: -476.378637 where: bonds (distance) C4'-P energy: -91.164 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -97.721 flat angles P-C4'-P energy: -66.030 tors. eta vs tors. theta energy: -135.435 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: 3, replica: 8 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1423.095819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.095819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.095819 (E_RNA) where: Base-Base interactions energy: -973.299 where: short stacking energy: -405.333 Base-Backbone interact. energy: -1.399 local terms energy: -448.396993 where: bonds (distance) C4'-P energy: -86.876 bonds (distance) P-C4' energy: -91.869 flat angles C4'-P-C4' energy: -90.038 flat angles P-C4'-P energy: -61.618 tors. eta vs tors. theta energy: -117.996 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: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1351.775644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.775644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.775644 (E_RNA) where: Base-Base interactions energy: -919.960 where: short stacking energy: -411.533 Base-Backbone interact. energy: 1.099 local terms energy: -432.914927 where: bonds (distance) C4'-P energy: -78.503 bonds (distance) P-C4' energy: -94.717 flat angles C4'-P-C4' energy: -86.943 flat angles P-C4'-P energy: -59.268 tors. eta vs tors. theta energy: -113.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1131.869354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.869354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.869354 (E_RNA) where: Base-Base interactions energy: -731.576 where: short stacking energy: -324.618 Base-Backbone interact. energy: -1.121 local terms energy: -399.171791 where: bonds (distance) C4'-P energy: -83.864 bonds (distance) P-C4' energy: -75.347 flat angles C4'-P-C4' energy: -87.651 flat angles P-C4'-P energy: -60.245 tors. eta vs tors. theta energy: -92.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1118.194312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.194312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.194312 (E_RNA) where: Base-Base interactions energy: -725.064 where: short stacking energy: -319.479 Base-Backbone interact. energy: 3.539 local terms energy: -396.669762 where: bonds (distance) C4'-P energy: -82.470 bonds (distance) P-C4' energy: -88.426 flat angles C4'-P-C4' energy: -90.582 flat angles P-C4'-P energy: -51.684 tors. eta vs tors. theta energy: -83.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -787.571323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.571323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.571323 (E_RNA) where: Base-Base interactions energy: -446.270 where: short stacking energy: -209.988 Base-Backbone interact. energy: 1.631 local terms energy: -342.931706 where: bonds (distance) C4'-P energy: -89.476 bonds (distance) P-C4' energy: -89.597 flat angles C4'-P-C4' energy: -67.345 flat angles P-C4'-P energy: -64.303 tors. eta vs tors. theta energy: -32.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -655.765304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.765304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.765304 (E_RNA) where: Base-Base interactions energy: -369.409 where: short stacking energy: -195.028 Base-Backbone interact. energy: 4.748 local terms energy: -291.104504 where: bonds (distance) C4'-P energy: -72.120 bonds (distance) P-C4' energy: -79.763 flat angles C4'-P-C4' energy: -70.789 flat angles P-C4'-P energy: -46.562 tors. eta vs tors. theta energy: -21.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -507.945438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.945438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.945438 (E_RNA) where: Base-Base interactions energy: -230.940 where: short stacking energy: -140.974 Base-Backbone interact. energy: 2.788 local terms energy: -279.793558 where: bonds (distance) C4'-P energy: -70.019 bonds (distance) P-C4' energy: -80.839 flat angles C4'-P-C4' energy: -71.932 flat angles P-C4'-P energy: -48.812 tors. eta vs tors. theta energy: -8.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -506.846688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.846688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.846688 (E_RNA) where: Base-Base interactions energy: -254.502 where: short stacking energy: -130.056 Base-Backbone interact. energy: 3.114 local terms energy: -255.458252 where: bonds (distance) C4'-P energy: -73.966 bonds (distance) P-C4' energy: -84.231 flat angles C4'-P-C4' energy: -65.415 flat angles P-C4'-P energy: -38.326 tors. eta vs tors. theta energy: 6.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1538.590342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.590342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.590342 (E_RNA) where: Base-Base interactions energy: -1059.191 where: short stacking energy: -444.476 Base-Backbone interact. energy: -5.009 local terms energy: -474.389962 where: bonds (distance) C4'-P energy: -92.662 bonds (distance) P-C4' energy: -85.695 flat angles C4'-P-C4' energy: -105.411 flat angles P-C4'-P energy: -65.647 tors. eta vs tors. theta energy: -124.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1458.205974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.205974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.205974 (E_RNA) where: Base-Base interactions energy: -999.770 where: short stacking energy: -436.490 Base-Backbone interact. energy: -0.170 local terms energy: -458.265955 where: bonds (distance) C4'-P energy: -82.847 bonds (distance) P-C4' energy: -81.014 flat angles C4'-P-C4' energy: -104.345 flat angles P-C4'-P energy: -66.810 tors. eta vs tors. theta energy: -123.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1401.110283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.110283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.110283 (E_RNA) where: Base-Base interactions energy: -954.534 where: short stacking energy: -409.918 Base-Backbone interact. energy: -2.498 local terms energy: -444.078039 where: bonds (distance) C4'-P energy: -86.226 bonds (distance) P-C4' energy: -84.730 flat angles C4'-P-C4' energy: -93.585 flat angles P-C4'-P energy: -52.216 tors. eta vs tors. theta energy: -127.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1349.581981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.581981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.581981 (E_RNA) where: Base-Base interactions energy: -928.106 where: short stacking energy: -397.242 Base-Backbone interact. energy: -1.899 local terms energy: -419.576214 where: bonds (distance) C4'-P energy: -76.362 bonds (distance) P-C4' energy: -74.073 flat angles C4'-P-C4' energy: -87.345 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -118.246 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: 108 Temperature: 1.100000 Total energy: -1184.824938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.824938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.824938 (E_RNA) where: Base-Base interactions energy: -771.364 where: short stacking energy: -362.694 Base-Backbone interact. energy: -1.373 local terms energy: -412.087742 where: bonds (distance) C4'-P energy: -76.622 bonds (distance) P-C4' energy: -90.073 flat angles C4'-P-C4' energy: -82.855 flat angles P-C4'-P energy: -53.895 tors. eta vs tors. theta energy: -108.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1188.719174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.719174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.719174 (E_RNA) where: Base-Base interactions energy: -807.846 where: short stacking energy: -352.775 Base-Backbone interact. energy: 1.723 local terms energy: -382.596598 where: bonds (distance) C4'-P energy: -74.569 bonds (distance) P-C4' energy: -74.086 flat angles C4'-P-C4' energy: -87.273 flat angles P-C4'-P energy: -50.932 tors. eta vs tors. theta energy: -95.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -735.795790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.795790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.795790 (E_RNA) where: Base-Base interactions energy: -417.131 where: short stacking energy: -208.715 Base-Backbone interact. energy: -2.088 local terms energy: -316.577222 where: bonds (distance) C4'-P energy: -76.118 bonds (distance) P-C4' energy: -95.329 flat angles C4'-P-C4' energy: -55.181 flat angles P-C4'-P energy: -54.417 tors. eta vs tors. theta energy: -35.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -642.054458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.054458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.054458 (E_RNA) where: Base-Base interactions energy: -367.550 where: short stacking energy: -200.176 Base-Backbone interact. energy: -0.352 local terms energy: -274.151620 where: bonds (distance) C4'-P energy: -58.173 bonds (distance) P-C4' energy: -66.797 flat angles C4'-P-C4' energy: -76.809 flat angles P-C4'-P energy: -57.544 tors. eta vs tors. theta energy: -14.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -562.127338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.127338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.127338 (E_RNA) where: Base-Base interactions energy: -281.991 where: short stacking energy: -168.054 Base-Backbone interact. energy: 0.942 local terms energy: -281.078743 where: bonds (distance) C4'-P energy: -91.581 bonds (distance) P-C4' energy: -77.834 flat angles C4'-P-C4' energy: -66.158 flat angles P-C4'-P energy: -34.165 tors. eta vs tors. theta energy: -11.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -473.978841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.978841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.978841 (E_RNA) where: Base-Base interactions energy: -243.342 where: short stacking energy: -124.689 Base-Backbone interact. energy: -2.977 local terms energy: -227.660613 where: bonds (distance) C4'-P energy: -78.021 bonds (distance) P-C4' energy: -77.277 flat angles C4'-P-C4' energy: -58.842 flat angles P-C4'-P energy: -30.886 tors. eta vs tors. theta energy: 17.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1585.402262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.402262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.402262 (E_RNA) where: Base-Base interactions energy: -1078.463 where: short stacking energy: -466.166 Base-Backbone interact. energy: -2.541 local terms energy: -504.397649 where: bonds (distance) C4'-P energy: -83.173 bonds (distance) P-C4' energy: -95.850 flat angles C4'-P-C4' energy: -109.407 flat angles P-C4'-P energy: -76.428 tors. eta vs tors. theta energy: -139.540 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: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1477.818380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.818380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.818380 (E_RNA) where: Base-Base interactions energy: -1024.529 where: short stacking energy: -442.931 Base-Backbone interact. energy: -1.374 local terms energy: -451.915382 where: bonds (distance) C4'-P energy: -77.880 bonds (distance) P-C4' energy: -83.589 flat angles C4'-P-C4' energy: -97.115 flat angles P-C4'-P energy: -66.796 tors. eta vs tors. theta energy: -126.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1412.846872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.846872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.846872 (E_RNA) where: Base-Base interactions energy: -964.002 where: short stacking energy: -412.940 Base-Backbone interact. energy: -2.107 local terms energy: -446.737602 where: bonds (distance) C4'-P energy: -96.700 bonds (distance) P-C4' energy: -90.953 flat angles C4'-P-C4' energy: -81.607 flat angles P-C4'-P energy: -60.406 tors. eta vs tors. theta energy: -117.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1363.719846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.719846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.719846 (E_RNA) where: Base-Base interactions energy: -932.437 where: short stacking energy: -390.847 Base-Backbone interact. energy: 2.512 local terms energy: -433.795322 where: bonds (distance) C4'-P energy: -72.321 bonds (distance) P-C4' energy: -86.332 flat angles C4'-P-C4' energy: -103.820 flat angles P-C4'-P energy: -56.144 tors. eta vs tors. theta energy: -115.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1113.268375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.268375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.268375 (E_RNA) where: Base-Base interactions energy: -714.906 where: short stacking energy: -324.074 Base-Backbone interact. energy: 1.000 local terms energy: -399.361557 where: bonds (distance) C4'-P energy: -81.544 bonds (distance) P-C4' energy: -91.549 flat angles C4'-P-C4' energy: -78.740 flat angles P-C4'-P energy: -52.194 tors. eta vs tors. theta energy: -95.334 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: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1198.904198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.904198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.904198 (E_RNA) where: Base-Base interactions energy: -821.491 where: short stacking energy: -354.999 Base-Backbone interact. energy: -0.946 local terms energy: -376.467353 where: bonds (distance) C4'-P energy: -83.752 bonds (distance) P-C4' energy: -66.559 flat angles C4'-P-C4' energy: -88.892 flat angles P-C4'-P energy: -49.603 tors. eta vs tors. theta energy: -87.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -811.826930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.826930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.826930 (E_RNA) where: Base-Base interactions energy: -465.752 where: short stacking energy: -245.477 Base-Backbone interact. energy: 4.093 local terms energy: -350.167399 where: bonds (distance) C4'-P energy: -85.756 bonds (distance) P-C4' energy: -79.635 flat angles C4'-P-C4' energy: -83.410 flat angles P-C4'-P energy: -55.276 tors. eta vs tors. theta energy: -46.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -650.198892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.198892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.198892 (E_RNA) where: Base-Base interactions energy: -354.675 where: short stacking energy: -191.630 Base-Backbone interact. energy: 1.386 local terms energy: -296.910130 where: bonds (distance) C4'-P energy: -70.814 bonds (distance) P-C4' energy: -74.264 flat angles C4'-P-C4' energy: -78.399 flat angles P-C4'-P energy: -43.322 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: 9, replica: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -569.827322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.827322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.827322 (E_RNA) where: Base-Base interactions energy: -297.723 where: short stacking energy: -164.644 Base-Backbone interact. energy: -1.003 local terms energy: -271.101057 where: bonds (distance) C4'-P energy: -62.339 bonds (distance) P-C4' energy: -80.771 flat angles C4'-P-C4' energy: -69.851 flat angles P-C4'-P energy: -30.023 tors. eta vs tors. theta energy: -28.118 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: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -448.438801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.438801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.438801 (E_RNA) where: Base-Base interactions energy: -191.137 where: short stacking energy: -106.556 Base-Backbone interact. energy: -2.260 local terms energy: -255.041375 where: bonds (distance) C4'-P energy: -63.768 bonds (distance) P-C4' energy: -86.818 flat angles C4'-P-C4' energy: -77.514 flat angles P-C4'-P energy: -40.704 tors. eta vs tors. theta energy: 13.762 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: 1, replica: 4 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1550.167040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.167040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.167040 (E_RNA) where: Base-Base interactions energy: -1054.783 where: short stacking energy: -449.434 Base-Backbone interact. energy: -2.665 local terms energy: -492.718543 where: bonds (distance) C4'-P energy: -82.363 bonds (distance) P-C4' energy: -95.745 flat angles C4'-P-C4' energy: -100.904 flat angles P-C4'-P energy: -75.558 tors. eta vs tors. theta energy: -138.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1488.518385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.518385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.518385 (E_RNA) where: Base-Base interactions energy: -1034.456 where: short stacking energy: -415.444 Base-Backbone interact. energy: -0.455 local terms energy: -453.607937 where: bonds (distance) C4'-P energy: -95.282 bonds (distance) P-C4' energy: -80.608 flat angles C4'-P-C4' energy: -90.000 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: -126.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1398.049615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.049615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.049615 (E_RNA) where: Base-Base interactions energy: -916.132 where: short stacking energy: -387.917 Base-Backbone interact. energy: -0.457 local terms energy: -481.460593 where: bonds (distance) C4'-P energy: -86.807 bonds (distance) P-C4' energy: -100.684 flat angles C4'-P-C4' energy: -105.535 flat angles P-C4'-P energy: -74.621 tors. eta vs tors. theta energy: -113.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1360.119998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.119998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.119998 (E_RNA) where: Base-Base interactions energy: -918.212 where: short stacking energy: -392.275 Base-Backbone interact. energy: -0.852 local terms energy: -441.056214 where: bonds (distance) C4'-P energy: -87.028 bonds (distance) P-C4' energy: -82.686 flat angles C4'-P-C4' energy: -98.978 flat angles P-C4'-P energy: -57.196 tors. eta vs tors. theta energy: -115.168 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: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1240.220500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.220500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.220500 (E_RNA) where: Base-Base interactions energy: -824.906 where: short stacking energy: -346.397 Base-Backbone interact. energy: 0.366 local terms energy: -415.680613 where: bonds (distance) C4'-P energy: -84.211 bonds (distance) P-C4' energy: -86.465 flat angles C4'-P-C4' energy: -89.904 flat angles P-C4'-P energy: -62.170 tors. eta vs tors. theta energy: -92.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1111.729044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.729044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.729044 (E_RNA) where: Base-Base interactions energy: -740.092 where: short stacking energy: -333.949 Base-Backbone interact. energy: -1.698 local terms energy: -369.939603 where: bonds (distance) C4'-P energy: -80.459 bonds (distance) P-C4' energy: -80.034 flat angles C4'-P-C4' energy: -69.879 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -89.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -866.185096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.185096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.185096 (E_RNA) where: Base-Base interactions energy: -532.735 where: short stacking energy: -242.870 Base-Backbone interact. energy: -1.504 local terms energy: -331.945898 where: bonds (distance) C4'-P energy: -67.428 bonds (distance) P-C4' energy: -91.598 flat angles C4'-P-C4' energy: -71.400 flat angles P-C4'-P energy: -56.618 tors. eta vs tors. theta energy: -44.902 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: 110 Temperature: 1.250000 Total energy: -643.964880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.964880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.964880 (E_RNA) where: Base-Base interactions energy: -331.668 where: short stacking energy: -186.092 Base-Backbone interact. energy: -1.902 local terms energy: -310.394977 where: bonds (distance) C4'-P energy: -85.329 bonds (distance) P-C4' energy: -83.110 flat angles C4'-P-C4' energy: -63.404 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: -26.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -597.332047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.332047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.332047 (E_RNA) where: Base-Base interactions energy: -298.496 where: short stacking energy: -164.961 Base-Backbone interact. energy: 5.217 local terms energy: -304.052332 where: bonds (distance) C4'-P energy: -79.427 bonds (distance) P-C4' energy: -85.147 flat angles C4'-P-C4' energy: -70.230 flat angles P-C4'-P energy: -53.748 tors. eta vs tors. theta energy: -15.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -462.703748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.703748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.703748 (E_RNA) where: Base-Base interactions energy: -200.946 where: short stacking energy: -123.428 Base-Backbone interact. energy: 1.749 local terms energy: -263.506209 where: bonds (distance) C4'-P energy: -65.110 bonds (distance) P-C4' energy: -70.603 flat angles C4'-P-C4' energy: -78.654 flat angles P-C4'-P energy: -55.294 tors. eta vs tors. theta energy: 6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1555.090008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.090008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.090008 (E_RNA) where: Base-Base interactions energy: -1055.297 where: short stacking energy: -440.790 Base-Backbone interact. energy: -1.339 local terms energy: -498.453853 where: bonds (distance) C4'-P energy: -89.331 bonds (distance) P-C4' energy: -94.566 flat angles C4'-P-C4' energy: -102.724 flat angles P-C4'-P energy: -78.357 tors. eta vs tors. theta energy: -133.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1473.839632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.839632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.839632 (E_RNA) where: Base-Base interactions energy: -1000.940 where: short stacking energy: -413.131 Base-Backbone interact. energy: -2.039 local terms energy: -470.861206 where: bonds (distance) C4'-P energy: -91.484 bonds (distance) P-C4' energy: -87.018 flat angles C4'-P-C4' energy: -104.238 flat angles P-C4'-P energy: -61.500 tors. eta vs tors. theta energy: -126.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1423.869445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.869445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.869445 (E_RNA) where: Base-Base interactions energy: -985.425 where: short stacking energy: -400.140 Base-Backbone interact. energy: -2.587 local terms energy: -435.856868 where: bonds (distance) C4'-P energy: -71.689 bonds (distance) P-C4' energy: -85.411 flat angles C4'-P-C4' energy: -102.081 flat angles P-C4'-P energy: -55.401 tors. eta vs tors. theta energy: -121.275 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: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1381.035515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.035515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.035515 (E_RNA) where: Base-Base interactions energy: -941.529 where: short stacking energy: -386.864 Base-Backbone interact. energy: -2.558 local terms energy: -436.948296 where: bonds (distance) C4'-P energy: -96.631 bonds (distance) P-C4' energy: -83.916 flat angles C4'-P-C4' energy: -81.392 flat angles P-C4'-P energy: -59.863 tors. eta vs tors. theta energy: -115.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1253.760989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.760989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.760989 (E_RNA) where: Base-Base interactions energy: -842.071 where: short stacking energy: -370.925 Base-Backbone interact. energy: 0.708 local terms energy: -412.398010 where: bonds (distance) C4'-P energy: -88.417 bonds (distance) P-C4' energy: -79.950 flat angles C4'-P-C4' energy: -89.650 flat angles P-C4'-P energy: -49.941 tors. eta vs tors. theta energy: -104.440 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: 6, replica: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1079.481379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.481379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.481379 (E_RNA) where: Base-Base interactions energy: -700.936 where: short stacking energy: -297.384 Base-Backbone interact. energy: -2.026 local terms energy: -376.518894 where: bonds (distance) C4'-P energy: -70.699 bonds (distance) P-C4' energy: -80.030 flat angles C4'-P-C4' energy: -90.515 flat angles P-C4'-P energy: -58.827 tors. eta vs tors. theta energy: -76.448 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: 7, replica: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -847.861674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.861674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.861674 (E_RNA) where: Base-Base interactions energy: -524.822 where: short stacking energy: -246.995 Base-Backbone interact. energy: -0.517 local terms energy: -322.522725 where: bonds (distance) C4'-P energy: -80.798 bonds (distance) P-C4' energy: -87.196 flat angles C4'-P-C4' energy: -72.941 flat angles P-C4'-P energy: -35.364 tors. eta vs tors. theta energy: -46.224 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: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -645.797421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.797421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.797421 (E_RNA) where: Base-Base interactions energy: -328.120 where: short stacking energy: -192.587 Base-Backbone interact. energy: 0.784 local terms energy: -318.461728 where: bonds (distance) C4'-P energy: -79.221 bonds (distance) P-C4' energy: -78.996 flat angles C4'-P-C4' energy: -79.000 flat angles P-C4'-P energy: -55.501 tors. eta vs tors. theta energy: -25.745 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: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -600.306696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.306696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.306696 (E_RNA) where: Base-Base interactions energy: -344.062 where: short stacking energy: -172.005 Base-Backbone interact. energy: -4.053 local terms energy: -252.191893 where: bonds (distance) C4'-P energy: -72.389 bonds (distance) P-C4' energy: -66.906 flat angles C4'-P-C4' energy: -66.813 flat angles P-C4'-P energy: -25.621 tors. eta vs tors. theta energy: -20.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -485.090246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.090246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.090246 (E_RNA) where: Base-Base interactions energy: -214.479 where: short stacking energy: -134.432 Base-Backbone interact. energy: -2.900 local terms energy: -267.711821 where: bonds (distance) C4'-P energy: -64.684 bonds (distance) P-C4' energy: -71.977 flat angles C4'-P-C4' energy: -71.139 flat angles P-C4'-P energy: -52.002 tors. eta vs tors. theta energy: -7.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1553.970023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.970023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.970023 (E_RNA) where: Base-Base interactions energy: -1073.084 where: short stacking energy: -450.671 Base-Backbone interact. energy: 0.779 local terms energy: -481.665305 where: bonds (distance) C4'-P energy: -87.235 bonds (distance) P-C4' energy: -92.948 flat angles C4'-P-C4' energy: -102.737 flat angles P-C4'-P energy: -65.552 tors. eta vs tors. theta energy: -133.193 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: 112 Temperature: 0.950000 Total energy: -1497.462787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.462787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.462787 (E_RNA) where: Base-Base interactions energy: -1006.494 where: short stacking energy: -450.145 Base-Backbone interact. energy: -0.707 local terms energy: -490.261572 where: bonds (distance) C4'-P energy: -92.922 bonds (distance) P-C4' energy: -95.826 flat angles C4'-P-C4' energy: -107.059 flat angles P-C4'-P energy: -58.899 tors. eta vs tors. theta energy: -135.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1386.920744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.920744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.920744 (E_RNA) where: Base-Base interactions energy: -952.651 where: short stacking energy: -392.142 Base-Backbone interact. energy: 0.284 local terms energy: -434.553141 where: bonds (distance) C4'-P energy: -82.102 bonds (distance) P-C4' energy: -81.467 flat angles C4'-P-C4' energy: -94.988 flat angles P-C4'-P energy: -63.196 tors. eta vs tors. theta energy: -112.801 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: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1355.390455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.390455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.390455 (E_RNA) where: Base-Base interactions energy: -938.299 where: short stacking energy: -396.860 Base-Backbone interact. energy: 1.146 local terms energy: -418.237168 where: bonds (distance) C4'-P energy: -80.015 bonds (distance) P-C4' energy: -72.188 flat angles C4'-P-C4' energy: -93.262 flat angles P-C4'-P energy: -56.463 tors. eta vs tors. theta energy: -116.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1282.321852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.321852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.321852 (E_RNA) where: Base-Base interactions energy: -878.917 where: short stacking energy: -376.778 Base-Backbone interact. energy: -2.438 local terms energy: -400.966314 where: bonds (distance) C4'-P energy: -71.742 bonds (distance) P-C4' energy: -82.853 flat angles C4'-P-C4' energy: -87.505 flat angles P-C4'-P energy: -64.220 tors. eta vs tors. theta energy: -94.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1041.112227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.112227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.112227 (E_RNA) where: Base-Base interactions energy: -689.581 where: short stacking energy: -289.810 Base-Backbone interact. energy: -0.450 local terms energy: -351.081184 where: bonds (distance) C4'-P energy: -72.056 bonds (distance) P-C4' energy: -83.649 flat angles C4'-P-C4' energy: -77.869 flat angles P-C4'-P energy: -39.789 tors. eta vs tors. theta energy: -77.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -749.045884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.045884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.045884 (E_RNA) where: Base-Base interactions energy: -416.628 where: short stacking energy: -219.164 Base-Backbone interact. energy: -1.905 local terms energy: -330.512874 where: bonds (distance) C4'-P energy: -77.065 bonds (distance) P-C4' energy: -89.745 flat angles C4'-P-C4' energy: -85.869 flat angles P-C4'-P energy: -35.049 tors. eta vs tors. theta energy: -42.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -617.830382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.830382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.830382 (E_RNA) where: Base-Base interactions energy: -352.389 where: short stacking energy: -170.064 Base-Backbone interact. energy: -3.053 local terms energy: -262.388577 where: bonds (distance) C4'-P energy: -65.721 bonds (distance) P-C4' energy: -73.086 flat angles C4'-P-C4' energy: -83.855 flat angles P-C4'-P energy: -40.269 tors. eta vs tors. theta energy: 0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -558.082595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.082595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.082595 (E_RNA) where: Base-Base interactions energy: -308.857 where: short stacking energy: -148.643 Base-Backbone interact. energy: 2.265 local terms energy: -251.490720 where: bonds (distance) C4'-P energy: -79.996 bonds (distance) P-C4' energy: -84.308 flat angles C4'-P-C4' energy: -63.588 flat angles P-C4'-P energy: -42.966 tors. eta vs tors. theta energy: 19.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -481.333482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.333482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.333482 (E_RNA) where: Base-Base interactions energy: -216.987 where: short stacking energy: -147.663 Base-Backbone interact. energy: -2.515 local terms energy: -261.831484 where: bonds (distance) C4'-P energy: -72.737 bonds (distance) P-C4' energy: -75.394 flat angles C4'-P-C4' energy: -62.451 flat angles P-C4'-P energy: -48.282 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1579.378522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.378522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.378522 (E_RNA) where: Base-Base interactions energy: -1077.546 where: short stacking energy: -457.148 Base-Backbone interact. energy: -1.111 local terms energy: -500.721957 where: bonds (distance) C4'-P energy: -98.064 bonds (distance) P-C4' energy: -94.258 flat angles C4'-P-C4' energy: -98.086 flat angles P-C4'-P energy: -76.722 tors. eta vs tors. theta energy: -133.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1498.065302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.065302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.065302 (E_RNA) where: Base-Base interactions energy: -1022.158 where: short stacking energy: -432.078 Base-Backbone interact. energy: -2.902 local terms energy: -473.004934 where: bonds (distance) C4'-P energy: -73.391 bonds (distance) P-C4' energy: -84.858 flat angles C4'-P-C4' energy: -108.784 flat angles P-C4'-P energy: -74.835 tors. eta vs tors. theta energy: -131.136 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: 3, replica: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1401.722231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.722231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.722231 (E_RNA) where: Base-Base interactions energy: -940.442 where: short stacking energy: -377.661 Base-Backbone interact. energy: -3.476 local terms energy: -457.803832 where: bonds (distance) C4'-P energy: -95.140 bonds (distance) P-C4' energy: -80.803 flat angles C4'-P-C4' energy: -93.115 flat angles P-C4'-P energy: -72.726 tors. eta vs tors. theta energy: -116.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1377.924945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.924945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.924945 (E_RNA) where: Base-Base interactions energy: -937.951 where: short stacking energy: -402.748 Base-Backbone interact. energy: -1.377 local terms energy: -438.596912 where: bonds (distance) C4'-P energy: -83.388 bonds (distance) P-C4' energy: -86.998 flat angles C4'-P-C4' energy: -90.568 flat angles P-C4'-P energy: -55.729 tors. eta vs tors. theta energy: -121.914 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: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1260.236873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.236873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.236873 (E_RNA) where: Base-Base interactions energy: -828.114 where: short stacking energy: -344.837 Base-Backbone interact. energy: -0.323 local terms energy: -431.799242 where: bonds (distance) C4'-P energy: -78.092 bonds (distance) P-C4' energy: -87.824 flat angles C4'-P-C4' energy: -95.471 flat angles P-C4'-P energy: -70.778 tors. eta vs tors. theta energy: -99.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1029.387863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.387863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.387863 (E_RNA) where: Base-Base interactions energy: -649.716 where: short stacking energy: -267.598 Base-Backbone interact. energy: -1.675 local terms energy: -377.996817 where: bonds (distance) C4'-P energy: -77.072 bonds (distance) P-C4' energy: -85.412 flat angles C4'-P-C4' energy: -84.284 flat angles P-C4'-P energy: -73.160 tors. eta vs tors. theta energy: -58.068 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: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -686.167218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.167218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.167218 (E_RNA) where: Base-Base interactions energy: -363.993 where: short stacking energy: -196.581 Base-Backbone interact. energy: 0.498 local terms energy: -322.672652 where: bonds (distance) C4'-P energy: -74.373 bonds (distance) P-C4' energy: -79.534 flat angles C4'-P-C4' energy: -79.514 flat angles P-C4'-P energy: -45.791 tors. eta vs tors. theta energy: -43.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -634.972331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.972331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.972331 (E_RNA) where: Base-Base interactions energy: -342.296 where: short stacking energy: -195.209 Base-Backbone interact. energy: 3.737 local terms energy: -296.413895 where: bonds (distance) C4'-P energy: -75.471 bonds (distance) P-C4' energy: -72.004 flat angles C4'-P-C4' energy: -66.307 flat angles P-C4'-P energy: -62.404 tors. eta vs tors. theta energy: -20.227 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: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -612.899428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.899428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.899428 (E_RNA) where: Base-Base interactions energy: -361.592 where: short stacking energy: -180.282 Base-Backbone interact. energy: 1.127 local terms energy: -252.433925 where: bonds (distance) C4'-P energy: -79.661 bonds (distance) P-C4' energy: -65.651 flat angles C4'-P-C4' energy: -62.669 flat angles P-C4'-P energy: -37.139 tors. eta vs tors. theta energy: -7.313 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: 113 Temperature: 1.350000 Total energy: -461.255317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.255317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.255317 (E_RNA) where: Base-Base interactions energy: -217.030 where: short stacking energy: -127.586 Base-Backbone interact. energy: 4.096 local terms energy: -248.321541 where: bonds (distance) C4'-P energy: -75.568 bonds (distance) P-C4' energy: -78.989 flat angles C4'-P-C4' energy: -74.301 flat angles P-C4'-P energy: -26.404 tors. eta vs tors. theta energy: 6.940 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: 1, replica: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1551.978072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.978072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.978072 (E_RNA) where: Base-Base interactions energy: -1034.246 where: short stacking energy: -434.083 Base-Backbone interact. energy: -3.555 local terms energy: -514.177537 where: bonds (distance) C4'-P energy: -94.550 bonds (distance) P-C4' energy: -102.406 flat angles C4'-P-C4' energy: -108.815 flat angles P-C4'-P energy: -72.804 tors. eta vs tors. theta energy: -135.603 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: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1496.808500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.808500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.808500 (E_RNA) where: Base-Base interactions energy: -1021.360 where: short stacking energy: -457.180 Base-Backbone interact. energy: -1.565 local terms energy: -473.883610 where: bonds (distance) C4'-P energy: -76.663 bonds (distance) P-C4' energy: -92.131 flat angles C4'-P-C4' energy: -104.378 flat angles P-C4'-P energy: -65.656 tors. eta vs tors. theta energy: -135.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1415.975965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.975965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.975965 (E_RNA) where: Base-Base interactions energy: -994.489 where: short stacking energy: -415.140 Base-Backbone interact. energy: -2.424 local terms energy: -419.063527 where: bonds (distance) C4'-P energy: -83.110 bonds (distance) P-C4' energy: -73.845 flat angles C4'-P-C4' energy: -92.373 flat angles P-C4'-P energy: -58.188 tors. eta vs tors. theta energy: -111.547 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: 4, replica: 8 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1377.964471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.964471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.964471 (E_RNA) where: Base-Base interactions energy: -923.863 where: short stacking energy: -402.222 Base-Backbone interact. energy: -2.232 local terms energy: -451.869471 where: bonds (distance) C4'-P energy: -74.423 bonds (distance) P-C4' energy: -93.366 flat angles C4'-P-C4' energy: -96.325 flat angles P-C4'-P energy: -69.720 tors. eta vs tors. theta energy: -118.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1282.474471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.474471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.474471 (E_RNA) where: Base-Base interactions energy: -877.898 where: short stacking energy: -376.662 Base-Backbone interact. energy: -0.948 local terms energy: -403.628547 where: bonds (distance) C4'-P energy: -79.304 bonds (distance) P-C4' energy: -76.088 flat angles C4'-P-C4' energy: -91.410 flat angles P-C4'-P energy: -57.475 tors. eta vs tors. theta energy: -99.352 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: 6, replica: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1012.130875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.130875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.130875 (E_RNA) where: Base-Base interactions energy: -660.853 where: short stacking energy: -275.673 Base-Backbone interact. energy: 3.260 local terms energy: -354.538493 where: bonds (distance) C4'-P energy: -79.464 bonds (distance) P-C4' energy: -72.161 flat angles C4'-P-C4' energy: -79.295 flat angles P-C4'-P energy: -52.200 tors. eta vs tors. theta energy: -71.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -685.564925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.564925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.564925 (E_RNA) where: Base-Base interactions energy: -376.146 where: short stacking energy: -199.528 Base-Backbone interact. energy: -0.803 local terms energy: -308.615930 where: bonds (distance) C4'-P energy: -73.466 bonds (distance) P-C4' energy: -92.534 flat angles C4'-P-C4' energy: -73.946 flat angles P-C4'-P energy: -33.822 tors. eta vs tors. theta energy: -34.847 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: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -678.601424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.601424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.601424 (E_RNA) where: Base-Base interactions energy: -372.498 where: short stacking energy: -196.527 Base-Backbone interact. energy: -1.204 local terms energy: -304.899337 where: bonds (distance) C4'-P energy: -69.811 bonds (distance) P-C4' energy: -85.821 flat angles C4'-P-C4' energy: -87.216 flat angles P-C4'-P energy: -38.212 tors. eta vs tors. theta energy: -23.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -633.463760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.463760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.463760 (E_RNA) where: Base-Base interactions energy: -358.551 where: short stacking energy: -179.374 Base-Backbone interact. energy: 2.759 local terms energy: -277.671287 where: bonds (distance) C4'-P energy: -64.488 bonds (distance) P-C4' energy: -79.215 flat angles C4'-P-C4' energy: -74.557 flat angles P-C4'-P energy: -47.943 tors. eta vs tors. theta energy: -11.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -477.085492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.085492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.085492 (E_RNA) where: Base-Base interactions energy: -234.353 where: short stacking energy: -139.483 Base-Backbone interact. energy: 0.255 local terms energy: -242.987563 where: bonds (distance) C4'-P energy: -69.314 bonds (distance) P-C4' energy: -83.186 flat angles C4'-P-C4' energy: -49.759 flat angles P-C4'-P energy: -37.630 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1547.050170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.050170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.050170 (E_RNA) where: Base-Base interactions energy: -1071.538 where: short stacking energy: -445.553 Base-Backbone interact. energy: -1.275 local terms energy: -474.237365 where: bonds (distance) C4'-P energy: -87.408 bonds (distance) P-C4' energy: -89.981 flat angles C4'-P-C4' energy: -97.949 flat angles P-C4'-P energy: -64.444 tors. eta vs tors. theta energy: -134.456 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: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1501.345677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.345677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.345677 (E_RNA) where: Base-Base interactions energy: -1041.763 where: short stacking energy: -448.347 Base-Backbone interact. energy: -0.149 local terms energy: -459.433737 where: bonds (distance) C4'-P energy: -84.389 bonds (distance) P-C4' energy: -79.291 flat angles C4'-P-C4' energy: -97.150 flat angles P-C4'-P energy: -65.662 tors. eta vs tors. theta energy: -132.942 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: 5 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1409.313103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.313103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.313103 (E_RNA) where: Base-Base interactions energy: -963.476 where: short stacking energy: -401.856 Base-Backbone interact. energy: -3.464 local terms energy: -442.372820 where: bonds (distance) C4'-P energy: -93.302 bonds (distance) P-C4' energy: -94.452 flat angles C4'-P-C4' energy: -84.220 flat angles P-C4'-P energy: -55.910 tors. eta vs tors. theta energy: -114.488 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: 8 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1370.483972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.483972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.483972 (E_RNA) where: Base-Base interactions energy: -923.010 where: short stacking energy: -393.802 Base-Backbone interact. energy: -0.526 local terms energy: -446.947190 where: bonds (distance) C4'-P energy: -83.199 bonds (distance) P-C4' energy: -94.375 flat angles C4'-P-C4' energy: -83.463 flat angles P-C4'-P energy: -69.293 tors. eta vs tors. theta energy: -116.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1213.538572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.538572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.538572 (E_RNA) where: Base-Base interactions energy: -805.106 where: short stacking energy: -352.124 Base-Backbone interact. energy: -0.979 local terms energy: -407.453985 where: bonds (distance) C4'-P energy: -72.285 bonds (distance) P-C4' energy: -90.372 flat angles C4'-P-C4' energy: -91.815 flat angles P-C4'-P energy: -59.812 tors. eta vs tors. theta energy: -93.171 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: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1030.119623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.119623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.119623 (E_RNA) where: Base-Base interactions energy: -673.179 where: short stacking energy: -281.159 Base-Backbone interact. energy: -0.269 local terms energy: -356.671386 where: bonds (distance) C4'-P energy: -81.784 bonds (distance) P-C4' energy: -84.037 flat angles C4'-P-C4' energy: -78.113 flat angles P-C4'-P energy: -48.966 tors. eta vs tors. theta energy: -63.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -663.884597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.884597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.884597 (E_RNA) where: Base-Base interactions energy: -376.007 where: short stacking energy: -205.309 Base-Backbone interact. energy: 1.654 local terms energy: -289.531641 where: bonds (distance) C4'-P energy: -84.924 bonds (distance) P-C4' energy: -62.304 flat angles C4'-P-C4' energy: -74.602 flat angles P-C4'-P energy: -33.775 tors. eta vs tors. theta energy: -33.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -661.446325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.446325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.446325 (E_RNA) where: Base-Base interactions energy: -362.044 where: short stacking energy: -178.263 Base-Backbone interact. energy: -1.753 local terms energy: -297.649651 where: bonds (distance) C4'-P energy: -70.157 bonds (distance) P-C4' energy: -83.087 flat angles C4'-P-C4' energy: -80.970 flat angles P-C4'-P energy: -40.543 tors. eta vs tors. theta energy: -22.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -616.446497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.446497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.446497 (E_RNA) where: Base-Base interactions energy: -344.406 where: short stacking energy: -163.143 Base-Backbone interact. energy: 1.761 local terms energy: -273.801223 where: bonds (distance) C4'-P energy: -80.014 bonds (distance) P-C4' energy: -83.211 flat angles C4'-P-C4' energy: -57.309 flat angles P-C4'-P energy: -40.233 tors. eta vs tors. theta energy: -13.034 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: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -455.620578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.620578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.620578 (E_RNA) where: Base-Base interactions energy: -229.905 where: short stacking energy: -128.612 Base-Backbone interact. energy: -0.651 local terms energy: -225.064309 where: bonds (distance) C4'-P energy: -61.061 bonds (distance) P-C4' energy: -62.964 flat angles C4'-P-C4' energy: -66.595 flat angles P-C4'-P energy: -38.758 tors. eta vs tors. theta energy: 4.314 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: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1565.401878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.401878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.401878 (E_RNA) where: Base-Base interactions energy: -1074.067 where: short stacking energy: -463.085 Base-Backbone interact. energy: 0.450 local terms energy: -491.785114 where: bonds (distance) C4'-P energy: -89.329 bonds (distance) P-C4' energy: -84.702 flat angles C4'-P-C4' energy: -97.357 flat angles P-C4'-P energy: -81.621 tors. eta vs tors. theta energy: -138.776 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: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1514.607953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.607953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.607953 (E_RNA) where: Base-Base interactions energy: -1031.914 where: short stacking energy: -420.578 Base-Backbone interact. energy: -2.704 local terms energy: -479.990255 where: bonds (distance) C4'-P energy: -93.522 bonds (distance) P-C4' energy: -89.826 flat angles C4'-P-C4' energy: -102.787 flat angles P-C4'-P energy: -63.107 tors. eta vs tors. theta energy: -130.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1409.249913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.249913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.249913 (E_RNA) where: Base-Base interactions energy: -936.301 where: short stacking energy: -388.479 Base-Backbone interact. energy: 0.458 local terms energy: -473.407286 where: bonds (distance) C4'-P energy: -94.434 bonds (distance) P-C4' energy: -91.858 flat angles C4'-P-C4' energy: -107.155 flat angles P-C4'-P energy: -64.442 tors. eta vs tors. theta energy: -115.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1334.285787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.285787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.285787 (E_RNA) where: Base-Base interactions energy: -878.587 where: short stacking energy: -374.532 Base-Backbone interact. energy: -3.130 local terms energy: -452.569047 where: bonds (distance) C4'-P energy: -77.595 bonds (distance) P-C4' energy: -104.957 flat angles C4'-P-C4' energy: -95.960 flat angles P-C4'-P energy: -61.908 tors. eta vs tors. theta energy: -112.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1181.026269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.026269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.026269 (E_RNA) where: Base-Base interactions energy: -778.714 where: short stacking energy: -363.888 Base-Backbone interact. energy: 0.887 local terms energy: -403.198700 where: bonds (distance) C4'-P energy: -60.415 bonds (distance) P-C4' energy: -84.005 flat angles C4'-P-C4' energy: -99.495 flat angles P-C4'-P energy: -60.433 tors. eta vs tors. theta energy: -98.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1091.638628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.638628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.638628 (E_RNA) where: Base-Base interactions energy: -712.758 where: short stacking energy: -308.816 Base-Backbone interact. energy: -2.101 local terms energy: -376.779307 where: bonds (distance) C4'-P energy: -78.077 bonds (distance) P-C4' energy: -65.433 flat angles C4'-P-C4' energy: -98.520 flat angles P-C4'-P energy: -58.147 tors. eta vs tors. theta energy: -76.601 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: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -682.512872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.512872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.512872 (E_RNA) where: Base-Base interactions energy: -378.194 where: short stacking energy: -175.166 Base-Backbone interact. energy: 0.561 local terms energy: -304.879910 where: bonds (distance) C4'-P energy: -70.863 bonds (distance) P-C4' energy: -82.194 flat angles C4'-P-C4' energy: -76.590 flat angles P-C4'-P energy: -57.700 tors. eta vs tors. theta energy: -17.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -623.560986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.560986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.560986 (E_RNA) where: Base-Base interactions energy: -345.215 where: short stacking energy: -196.560 Base-Backbone interact. energy: -0.146 local terms energy: -278.199689 where: bonds (distance) C4'-P energy: -53.777 bonds (distance) P-C4' energy: -79.094 flat angles C4'-P-C4' energy: -74.452 flat angles P-C4'-P energy: -49.475 tors. eta vs tors. theta energy: -21.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -499.861935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.861935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.861935 (E_RNA) where: Base-Base interactions energy: -225.608 where: short stacking energy: -137.472 Base-Backbone interact. energy: 2.407 local terms energy: -276.660285 where: bonds (distance) C4'-P energy: -71.637 bonds (distance) P-C4' energy: -92.913 flat angles C4'-P-C4' energy: -69.124 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -1.165 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: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -543.018504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.018504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.018504 (E_RNA) where: Base-Base interactions energy: -281.083 where: short stacking energy: -153.666 Base-Backbone interact. energy: 0.891 local terms energy: -262.826321 where: bonds (distance) C4'-P energy: -64.176 bonds (distance) P-C4' energy: -86.538 flat angles C4'-P-C4' energy: -64.488 flat angles P-C4'-P energy: -38.230 tors. eta vs tors. theta energy: -9.394 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: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1570.866951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.866951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.866951 (E_RNA) where: Base-Base interactions energy: -1076.583 where: short stacking energy: -460.435 Base-Backbone interact. energy: -2.574 local terms energy: -491.709651 where: bonds (distance) C4'-P energy: -88.609 bonds (distance) P-C4' energy: -91.004 flat angles C4'-P-C4' energy: -101.802 flat angles P-C4'-P energy: -66.568 tors. eta vs tors. theta energy: -143.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1506.635635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.635635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.635635 (E_RNA) where: Base-Base interactions energy: -1029.118 where: short stacking energy: -428.048 Base-Backbone interact. energy: -2.472 local terms energy: -475.046029 where: bonds (distance) C4'-P energy: -83.705 bonds (distance) P-C4' energy: -83.041 flat angles C4'-P-C4' energy: -107.894 flat angles P-C4'-P energy: -62.789 tors. eta vs tors. theta energy: -137.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1415.031500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.031500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.031500 (E_RNA) where: Base-Base interactions energy: -977.672 where: short stacking energy: -410.230 Base-Backbone interact. energy: 0.235 local terms energy: -437.594455 where: bonds (distance) C4'-P energy: -77.292 bonds (distance) P-C4' energy: -74.689 flat angles C4'-P-C4' energy: -100.248 flat angles P-C4'-P energy: -63.096 tors. eta vs tors. theta energy: -122.270 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: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1393.855343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.855343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.855343 (E_RNA) where: Base-Base interactions energy: -936.547 where: short stacking energy: -404.521 Base-Backbone interact. energy: -0.380 local terms energy: -456.928408 where: bonds (distance) C4'-P energy: -92.999 bonds (distance) P-C4' energy: -87.736 flat angles C4'-P-C4' energy: -94.364 flat angles P-C4'-P energy: -66.683 tors. eta vs tors. theta energy: -115.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1219.039768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.039768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.039768 (E_RNA) where: Base-Base interactions energy: -818.606 where: short stacking energy: -366.878 Base-Backbone interact. energy: -0.538 local terms energy: -399.896362 where: bonds (distance) C4'-P energy: -85.632 bonds (distance) P-C4' energy: -87.953 flat angles C4'-P-C4' energy: -80.951 flat angles P-C4'-P energy: -42.586 tors. eta vs tors. theta energy: -102.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1061.627472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.627472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.627472 (E_RNA) where: Base-Base interactions energy: -682.309 where: short stacking energy: -295.559 Base-Backbone interact. energy: -1.442 local terms energy: -377.876650 where: bonds (distance) C4'-P energy: -69.719 bonds (distance) P-C4' energy: -92.511 flat angles C4'-P-C4' energy: -101.188 flat angles P-C4'-P energy: -47.761 tors. eta vs tors. theta energy: -66.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -680.633279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.633279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.633279 (E_RNA) where: Base-Base interactions energy: -376.541 where: short stacking energy: -172.874 Base-Backbone interact. energy: -2.539 local terms energy: -301.553380 where: bonds (distance) C4'-P energy: -77.668 bonds (distance) P-C4' energy: -84.576 flat angles C4'-P-C4' energy: -66.389 flat angles P-C4'-P energy: -53.055 tors. eta vs tors. theta energy: -19.865 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: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -628.751683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.751683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.751683 (E_RNA) where: Base-Base interactions energy: -333.969 where: short stacking energy: -181.194 Base-Backbone interact. energy: 1.350 local terms energy: -296.132460 where: bonds (distance) C4'-P energy: -64.111 bonds (distance) P-C4' energy: -83.241 flat angles C4'-P-C4' energy: -78.566 flat angles P-C4'-P energy: -46.710 tors. eta vs tors. theta energy: -23.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -489.084250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.084250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.084250 (E_RNA) where: Base-Base interactions energy: -220.756 where: short stacking energy: -145.553 Base-Backbone interact. energy: -1.439 local terms energy: -266.889304 where: bonds (distance) C4'-P energy: -78.299 bonds (distance) P-C4' energy: -89.614 flat angles C4'-P-C4' energy: -54.592 flat angles P-C4'-P energy: -36.270 tors. eta vs tors. theta energy: -8.114 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: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -525.795000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.795000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.795000 (E_RNA) where: Base-Base interactions energy: -284.773 where: short stacking energy: -176.708 Base-Backbone interact. energy: 0.153 local terms energy: -241.175280 where: bonds (distance) C4'-P energy: -80.796 bonds (distance) P-C4' energy: -59.543 flat angles C4'-P-C4' energy: -59.201 flat angles P-C4'-P energy: -37.353 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1573.432619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.432619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.432619 (E_RNA) where: Base-Base interactions energy: -1076.694 where: short stacking energy: -466.113 Base-Backbone interact. energy: -3.007 local terms energy: -493.731258 where: bonds (distance) C4'-P energy: -85.013 bonds (distance) P-C4' energy: -93.177 flat angles C4'-P-C4' energy: -108.999 flat angles P-C4'-P energy: -66.163 tors. eta vs tors. theta energy: -140.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1490.807237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.807237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.807237 (E_RNA) where: Base-Base interactions energy: -1011.540 where: short stacking energy: -421.252 Base-Backbone interact. energy: -1.703 local terms energy: -477.563953 where: bonds (distance) C4'-P energy: -90.747 bonds (distance) P-C4' energy: -101.082 flat angles C4'-P-C4' energy: -98.147 flat angles P-C4'-P energy: -61.993 tors. eta vs tors. theta energy: -125.594 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: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1430.270661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.270661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.270661 (E_RNA) where: Base-Base interactions energy: -967.582 where: short stacking energy: -408.963 Base-Backbone interact. energy: -1.717 local terms energy: -460.972153 where: bonds (distance) C4'-P energy: -89.852 bonds (distance) P-C4' energy: -87.220 flat angles C4'-P-C4' energy: -89.920 flat angles P-C4'-P energy: -67.692 tors. eta vs tors. theta energy: -126.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1335.325457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.325457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.325457 (E_RNA) where: Base-Base interactions energy: -914.408 where: short stacking energy: -381.448 Base-Backbone interact. energy: -2.857 local terms energy: -418.060574 where: bonds (distance) C4'-P energy: -90.509 bonds (distance) P-C4' energy: -84.552 flat angles C4'-P-C4' energy: -90.590 flat angles P-C4'-P energy: -45.113 tors. eta vs tors. theta energy: -107.296 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: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1209.095153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.095153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.095153 (E_RNA) where: Base-Base interactions energy: -787.023 where: short stacking energy: -329.194 Base-Backbone interact. energy: -1.114 local terms energy: -420.957893 where: bonds (distance) C4'-P energy: -94.166 bonds (distance) P-C4' energy: -88.832 flat angles C4'-P-C4' energy: -95.368 flat angles P-C4'-P energy: -55.668 tors. eta vs tors. theta energy: -86.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1094.474297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.474297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.474297 (E_RNA) where: Base-Base interactions energy: -744.665 where: short stacking energy: -330.524 Base-Backbone interact. energy: -1.142 local terms energy: -348.666824 where: bonds (distance) C4'-P energy: -81.048 bonds (distance) P-C4' energy: -70.721 flat angles C4'-P-C4' energy: -71.948 flat angles P-C4'-P energy: -54.052 tors. eta vs tors. theta energy: -70.898 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: 7, replica: 9 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -699.481721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.481721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.481721 (E_RNA) where: Base-Base interactions energy: -413.795 where: short stacking energy: -209.186 Base-Backbone interact. energy: 2.006 local terms energy: -287.692916 where: bonds (distance) C4'-P energy: -81.953 bonds (distance) P-C4' energy: -63.848 flat angles C4'-P-C4' energy: -62.665 flat angles P-C4'-P energy: -39.646 tors. eta vs tors. theta energy: -39.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -636.636567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.636567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.636567 (E_RNA) where: Base-Base interactions energy: -354.167 where: short stacking energy: -188.884 Base-Backbone interact. energy: 2.209 local terms energy: -284.678700 where: bonds (distance) C4'-P energy: -67.143 bonds (distance) P-C4' energy: -86.219 flat angles C4'-P-C4' energy: -80.372 flat angles P-C4'-P energy: -31.854 tors. eta vs tors. theta energy: -19.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -541.283159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.283159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.283159 (E_RNA) where: Base-Base interactions energy: -293.645 where: short stacking energy: -164.354 Base-Backbone interact. energy: -0.280 local terms energy: -247.358089 where: bonds (distance) C4'-P energy: -65.284 bonds (distance) P-C4' energy: -73.129 flat angles C4'-P-C4' energy: -58.275 flat angles P-C4'-P energy: -37.301 tors. eta vs tors. theta energy: -13.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -479.065682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.065682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.065682 (E_RNA) where: Base-Base interactions energy: -208.804 where: short stacking energy: -129.900 Base-Backbone interact. energy: -3.263 local terms energy: -266.999010 where: bonds (distance) C4'-P energy: -68.753 bonds (distance) P-C4' energy: -88.107 flat angles C4'-P-C4' energy: -76.450 flat angles P-C4'-P energy: -37.238 tors. eta vs tors. theta energy: 3.549 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: 119 Temperature: 0.900000 Total energy: -1565.096511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.096511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.096511 (E_RNA) where: Base-Base interactions energy: -1067.749 where: short stacking energy: -464.130 Base-Backbone interact. energy: -2.120 local terms energy: -495.227173 where: bonds (distance) C4'-P energy: -95.294 bonds (distance) P-C4' energy: -88.339 flat angles C4'-P-C4' energy: -105.704 flat angles P-C4'-P energy: -64.028 tors. eta vs tors. theta energy: -141.863 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: 119 Temperature: 0.950000 Total energy: -1472.215680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.215680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.215680 (E_RNA) where: Base-Base interactions energy: -1016.163 where: short stacking energy: -425.057 Base-Backbone interact. energy: -2.432 local terms energy: -453.620816 where: bonds (distance) C4'-P energy: -88.480 bonds (distance) P-C4' energy: -78.045 flat angles C4'-P-C4' energy: -97.100 flat angles P-C4'-P energy: -68.288 tors. eta vs tors. theta energy: -121.707 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: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1443.673253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.673253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.673253 (E_RNA) where: Base-Base interactions energy: -982.488 where: short stacking energy: -414.197 Base-Backbone interact. energy: 1.542 local terms energy: -462.726903 where: bonds (distance) C4'-P energy: -83.794 bonds (distance) P-C4' energy: -84.285 flat angles C4'-P-C4' energy: -106.005 flat angles P-C4'-P energy: -64.800 tors. eta vs tors. theta energy: -123.842 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: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1297.790511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.790511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.790511 (E_RNA) where: Base-Base interactions energy: -865.339 where: short stacking energy: -348.090 Base-Backbone interact. energy: 0.414 local terms energy: -432.865003 where: bonds (distance) C4'-P energy: -82.138 bonds (distance) P-C4' energy: -77.286 flat angles C4'-P-C4' energy: -102.868 flat angles P-C4'-P energy: -64.238 tors. eta vs tors. theta energy: -106.335 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: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1235.262762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.262762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.262762 (E_RNA) where: Base-Base interactions energy: -821.145 where: short stacking energy: -360.271 Base-Backbone interact. energy: -0.893 local terms energy: -413.225502 where: bonds (distance) C4'-P energy: -78.844 bonds (distance) P-C4' energy: -84.128 flat angles C4'-P-C4' energy: -89.300 flat angles P-C4'-P energy: -60.587 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: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1163.227305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.227305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.227305 (E_RNA) where: Base-Base interactions energy: -775.799 where: short stacking energy: -338.520 Base-Backbone interact. energy: -0.572 local terms energy: -386.856299 where: bonds (distance) C4'-P energy: -76.841 bonds (distance) P-C4' energy: -76.980 flat angles C4'-P-C4' energy: -81.087 flat angles P-C4'-P energy: -63.793 tors. eta vs tors. theta energy: -88.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -715.323907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.323907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.323907 (E_RNA) where: Base-Base interactions energy: -412.724 where: short stacking energy: -194.248 Base-Backbone interact. energy: 0.037 local terms energy: -302.636746 where: bonds (distance) C4'-P energy: -72.098 bonds (distance) P-C4' energy: -77.084 flat angles C4'-P-C4' energy: -77.556 flat angles P-C4'-P energy: -49.237 tors. eta vs tors. theta energy: -26.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -641.319570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.319570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.319570 (E_RNA) where: Base-Base interactions energy: -361.363 where: short stacking energy: -195.788 Base-Backbone interact. energy: -0.584 local terms energy: -279.373120 where: bonds (distance) C4'-P energy: -78.815 bonds (distance) P-C4' energy: -71.219 flat angles C4'-P-C4' energy: -71.869 flat angles P-C4'-P energy: -43.131 tors. eta vs tors. theta energy: -14.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -607.533507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.533507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.533507 (E_RNA) where: Base-Base interactions energy: -305.368 where: short stacking energy: -176.953 Base-Backbone interact. energy: 3.151 local terms energy: -305.316275 where: bonds (distance) C4'-P energy: -80.550 bonds (distance) P-C4' energy: -83.123 flat angles C4'-P-C4' energy: -83.944 flat angles P-C4'-P energy: -41.114 tors. eta vs tors. theta energy: -16.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -478.425480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.425480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.425480 (E_RNA) where: Base-Base interactions energy: -215.888 where: short stacking energy: -137.073 Base-Backbone interact. energy: 0.050 local terms energy: -262.587795 where: bonds (distance) C4'-P energy: -67.666 bonds (distance) P-C4' energy: -85.472 flat angles C4'-P-C4' energy: -65.198 flat angles P-C4'-P energy: -38.410 tors. eta vs tors. theta energy: -5.841 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: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1565.080702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.080702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.080702 (E_RNA) where: Base-Base interactions energy: -1066.505 where: short stacking energy: -457.249 Base-Backbone interact. energy: -2.553 local terms energy: -496.022728 where: bonds (distance) C4'-P energy: -81.186 bonds (distance) P-C4' energy: -96.878 flat angles C4'-P-C4' energy: -105.129 flat angles P-C4'-P energy: -78.735 tors. eta vs tors. theta energy: -134.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1450.545828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.545828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.545828 (E_RNA) where: Base-Base interactions energy: -1000.726 where: short stacking energy: -391.273 Base-Backbone interact. energy: -1.966 local terms energy: -447.853771 where: bonds (distance) C4'-P energy: -78.725 bonds (distance) P-C4' energy: -95.205 flat angles C4'-P-C4' energy: -101.907 flat angles P-C4'-P energy: -56.182 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: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1454.843920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.843920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.843920 (E_RNA) where: Base-Base interactions energy: -1003.379 where: short stacking energy: -431.765 Base-Backbone interact. energy: -1.775 local terms energy: -449.689103 where: bonds (distance) C4'-P energy: -79.418 bonds (distance) P-C4' energy: -86.182 flat angles C4'-P-C4' energy: -93.734 flat angles P-C4'-P energy: -66.763 tors. eta vs tors. theta energy: -123.592 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: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1313.845945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.845945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.845945 (E_RNA) where: Base-Base interactions energy: -885.558 where: short stacking energy: -376.847 Base-Backbone interact. energy: -3.246 local terms energy: -425.042220 where: bonds (distance) C4'-P energy: -88.043 bonds (distance) P-C4' energy: -83.704 flat angles C4'-P-C4' energy: -99.582 flat angles P-C4'-P energy: -44.892 tors. eta vs tors. theta energy: -108.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1261.699900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.699900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.699900 (E_RNA) where: Base-Base interactions energy: -844.044 where: short stacking energy: -348.011 Base-Backbone interact. energy: -1.249 local terms energy: -416.407244 where: bonds (distance) C4'-P energy: -82.688 bonds (distance) P-C4' energy: -82.724 flat angles C4'-P-C4' energy: -98.069 flat angles P-C4'-P energy: -55.259 tors. eta vs tors. theta energy: -97.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1144.927925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.927925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.927925 (E_RNA) where: Base-Base interactions energy: -770.238 where: short stacking energy: -350.442 Base-Backbone interact. energy: -0.293 local terms energy: -374.396494 where: bonds (distance) C4'-P energy: -74.109 bonds (distance) P-C4' energy: -73.727 flat angles C4'-P-C4' energy: -81.075 flat angles P-C4'-P energy: -53.364 tors. eta vs tors. theta energy: -92.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -688.331277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.331277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.331277 (E_RNA) where: Base-Base interactions energy: -388.545 where: short stacking energy: -185.227 Base-Backbone interact. energy: 0.013 local terms energy: -299.799272 where: bonds (distance) C4'-P energy: -81.063 bonds (distance) P-C4' energy: -82.778 flat angles C4'-P-C4' energy: -71.672 flat angles P-C4'-P energy: -42.211 tors. eta vs tors. theta energy: -22.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -660.045925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.045925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.045925 (E_RNA) where: Base-Base interactions energy: -354.547 where: short stacking energy: -185.408 Base-Backbone interact. energy: 5.142 local terms energy: -310.640996 where: bonds (distance) C4'-P energy: -81.402 bonds (distance) P-C4' energy: -86.040 flat angles C4'-P-C4' energy: -81.258 flat angles P-C4'-P energy: -41.302 tors. eta vs tors. theta energy: -20.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -492.291375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.291375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.291375 (E_RNA) where: Base-Base interactions energy: -210.379 where: short stacking energy: -130.786 Base-Backbone interact. energy: 1.579 local terms energy: -283.491847 where: bonds (distance) C4'-P energy: -69.595 bonds (distance) P-C4' energy: -91.471 flat angles C4'-P-C4' energy: -72.800 flat angles P-C4'-P energy: -37.318 tors. eta vs tors. theta energy: -12.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -542.707772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.707772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.707772 (E_RNA) where: Base-Base interactions energy: -300.618 where: short stacking energy: -147.806 Base-Backbone interact. energy: -2.026 local terms energy: -240.064272 where: bonds (distance) C4'-P energy: -70.118 bonds (distance) P-C4' energy: -72.168 flat angles C4'-P-C4' energy: -64.098 flat angles P-C4'-P energy: -30.473 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1550.355618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.355618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.355618 (E_RNA) where: Base-Base interactions energy: -1068.400 where: short stacking energy: -451.844 Base-Backbone interact. energy: -1.494 local terms energy: -480.462056 where: bonds (distance) C4'-P energy: -86.167 bonds (distance) P-C4' energy: -87.975 flat angles C4'-P-C4' energy: -106.303 flat angles P-C4'-P energy: -69.103 tors. eta vs tors. theta energy: -130.915 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: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1432.669345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.669345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.669345 (E_RNA) where: Base-Base interactions energy: -973.127 where: short stacking energy: -407.407 Base-Backbone interact. energy: 0.454 local terms energy: -459.996662 where: bonds (distance) C4'-P energy: -85.245 bonds (distance) P-C4' energy: -92.682 flat angles C4'-P-C4' energy: -104.032 flat angles P-C4'-P energy: -66.496 tors. eta vs tors. theta energy: -111.542 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: 3, replica: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1434.823540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.823540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.823540 (E_RNA) where: Base-Base interactions energy: -983.633 where: short stacking energy: -426.941 Base-Backbone interact. energy: 1.199 local terms energy: -452.389995 where: bonds (distance) C4'-P energy: -84.908 bonds (distance) P-C4' energy: -76.241 flat angles C4'-P-C4' energy: -94.468 flat angles P-C4'-P energy: -66.748 tors. eta vs tors. theta energy: -130.024 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: 121 Temperature: 1.050000 Total energy: -1319.457984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.457984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.457984 (E_RNA) where: Base-Base interactions energy: -896.142 where: short stacking energy: -385.996 Base-Backbone interact. energy: 2.466 local terms energy: -425.781201 where: bonds (distance) C4'-P energy: -79.230 bonds (distance) P-C4' energy: -81.445 flat angles C4'-P-C4' energy: -94.884 flat angles P-C4'-P energy: -66.583 tors. eta vs tors. theta energy: -103.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1207.367005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.367005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.367005 (E_RNA) where: Base-Base interactions energy: -786.649 where: short stacking energy: -365.541 Base-Backbone interact. energy: -2.656 local terms energy: -418.061214 where: bonds (distance) C4'-P energy: -86.358 bonds (distance) P-C4' energy: -75.353 flat angles C4'-P-C4' energy: -98.655 flat angles P-C4'-P energy: -58.455 tors. eta vs tors. theta energy: -99.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1152.775697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.775697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.775697 (E_RNA) where: Base-Base interactions energy: -772.876 where: short stacking energy: -329.176 Base-Backbone interact. energy: -0.985 local terms energy: -378.914352 where: bonds (distance) C4'-P energy: -68.169 bonds (distance) P-C4' energy: -84.511 flat angles C4'-P-C4' energy: -86.531 flat angles P-C4'-P energy: -45.694 tors. eta vs tors. theta energy: -94.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -709.822271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.822271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.822271 (E_RNA) where: Base-Base interactions energy: -404.171 where: short stacking energy: -171.622 Base-Backbone interact. energy: -2.734 local terms energy: -302.917237 where: bonds (distance) C4'-P energy: -79.471 bonds (distance) P-C4' energy: -92.770 flat angles C4'-P-C4' energy: -68.078 flat angles P-C4'-P energy: -53.595 tors. eta vs tors. theta energy: -9.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -645.066622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.066622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.066622 (E_RNA) where: Base-Base interactions energy: -360.070 where: short stacking energy: -183.415 Base-Backbone interact. energy: 0.843 local terms energy: -285.839985 where: bonds (distance) C4'-P energy: -68.506 bonds (distance) P-C4' energy: -69.870 flat angles C4'-P-C4' energy: -65.680 flat angles P-C4'-P energy: -59.435 tors. eta vs tors. theta energy: -22.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -489.029416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.029416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.029416 (E_RNA) where: Base-Base interactions energy: -214.826 where: short stacking energy: -148.876 Base-Backbone interact. energy: 0.483 local terms energy: -274.685610 where: bonds (distance) C4'-P energy: -78.464 bonds (distance) P-C4' energy: -76.804 flat angles C4'-P-C4' energy: -66.227 flat angles P-C4'-P energy: -33.042 tors. eta vs tors. theta energy: -20.148 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: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -539.269932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.269932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.269932 (E_RNA) where: Base-Base interactions energy: -284.973 where: short stacking energy: -145.617 Base-Backbone interact. energy: -1.243 local terms energy: -253.053158 where: bonds (distance) C4'-P energy: -61.330 bonds (distance) P-C4' energy: -82.466 flat angles C4'-P-C4' energy: -67.158 flat angles P-C4'-P energy: -38.508 tors. eta vs tors. theta energy: -3.590 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: 1, replica: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1558.031112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.031112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.031112 (E_RNA) where: Base-Base interactions energy: -1070.661 where: short stacking energy: -433.167 Base-Backbone interact. energy: 2.654 local terms energy: -490.024807 where: bonds (distance) C4'-P energy: -91.090 bonds (distance) P-C4' energy: -97.788 flat angles C4'-P-C4' energy: -101.973 flat angles P-C4'-P energy: -65.838 tors. eta vs tors. theta energy: -133.336 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: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1431.818353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.818353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.818353 (E_RNA) where: Base-Base interactions energy: -959.153 where: short stacking energy: -403.383 Base-Backbone interact. energy: -1.661 local terms energy: -471.004019 where: bonds (distance) C4'-P energy: -95.685 bonds (distance) P-C4' energy: -82.406 flat angles C4'-P-C4' energy: -106.626 flat angles P-C4'-P energy: -68.965 tors. eta vs tors. theta energy: -117.322 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: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1448.620786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.620786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.620786 (E_RNA) where: Base-Base interactions energy: -971.286 where: short stacking energy: -405.433 Base-Backbone interact. energy: -4.624 local terms energy: -472.710708 where: bonds (distance) C4'-P energy: -92.001 bonds (distance) P-C4' energy: -87.951 flat angles C4'-P-C4' energy: -97.316 flat angles P-C4'-P energy: -75.094 tors. eta vs tors. theta energy: -120.348 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: 4, replica: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1309.580195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.580195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.580195 (E_RNA) where: Base-Base interactions energy: -890.289 where: short stacking energy: -398.695 Base-Backbone interact. energy: -1.011 local terms energy: -418.279759 where: bonds (distance) C4'-P energy: -87.795 bonds (distance) P-C4' energy: -74.697 flat angles C4'-P-C4' energy: -88.485 flat angles P-C4'-P energy: -53.476 tors. eta vs tors. theta energy: -113.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1262.167293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.167293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.167293 (E_RNA) where: Base-Base interactions energy: -838.236 where: short stacking energy: -389.848 Base-Backbone interact. energy: -2.821 local terms energy: -421.110330 where: bonds (distance) C4'-P energy: -72.914 bonds (distance) P-C4' energy: -76.492 flat angles C4'-P-C4' energy: -91.883 flat angles P-C4'-P energy: -68.263 tors. eta vs tors. theta energy: -111.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1115.875387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.875387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.875387 (E_RNA) where: Base-Base interactions energy: -746.788 where: short stacking energy: -308.705 Base-Backbone interact. energy: -2.668 local terms energy: -366.419376 where: bonds (distance) C4'-P energy: -78.744 bonds (distance) P-C4' energy: -77.507 flat angles C4'-P-C4' energy: -79.032 flat angles P-C4'-P energy: -51.508 tors. eta vs tors. theta energy: -79.629 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: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -750.458301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.458301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.458301 (E_RNA) where: Base-Base interactions energy: -470.400 where: short stacking energy: -192.030 Base-Backbone interact. energy: 1.545 local terms energy: -281.603149 where: bonds (distance) C4'-P energy: -81.665 bonds (distance) P-C4' energy: -66.439 flat angles C4'-P-C4' energy: -67.591 flat angles P-C4'-P energy: -44.304 tors. eta vs tors. theta energy: -21.605 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: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -650.896632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.896632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.896632 (E_RNA) where: Base-Base interactions energy: -380.350 where: short stacking energy: -181.674 Base-Backbone interact. energy: 7.736 local terms energy: -278.282627 where: bonds (distance) C4'-P energy: -75.291 bonds (distance) P-C4' energy: -92.639 flat angles C4'-P-C4' energy: -65.412 flat angles P-C4'-P energy: -36.845 tors. eta vs tors. theta energy: -8.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -538.996460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.996460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.996460 (E_RNA) where: Base-Base interactions energy: -273.762 where: short stacking energy: -155.569 Base-Backbone interact. energy: 2.801 local terms energy: -268.035681 where: bonds (distance) C4'-P energy: -83.882 bonds (distance) P-C4' energy: -74.055 flat angles C4'-P-C4' energy: -76.581 flat angles P-C4'-P energy: -30.089 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -451.119830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.119830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.119830 (E_RNA) where: Base-Base interactions energy: -188.346 where: short stacking energy: -108.345 Base-Backbone interact. energy: 1.781 local terms energy: -264.554463 where: bonds (distance) C4'-P energy: -85.111 bonds (distance) P-C4' energy: -84.506 flat angles C4'-P-C4' energy: -61.067 flat angles P-C4'-P energy: -32.265 tors. eta vs tors. theta energy: -1.605 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: 2 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1577.289042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.289042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.289042 (E_RNA) where: Base-Base interactions energy: -1078.111 where: short stacking energy: -466.707 Base-Backbone interact. energy: -2.024 local terms energy: -497.154491 where: bonds (distance) C4'-P energy: -82.433 bonds (distance) P-C4' energy: -97.906 flat angles C4'-P-C4' energy: -106.769 flat angles P-C4'-P energy: -72.134 tors. eta vs tors. theta energy: -137.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1494.864637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.864637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.864637 (E_RNA) where: Base-Base interactions energy: -1018.501 where: short stacking energy: -420.065 Base-Backbone interact. energy: -3.242 local terms energy: -473.120989 where: bonds (distance) C4'-P energy: -97.693 bonds (distance) P-C4' energy: -80.719 flat angles C4'-P-C4' energy: -98.930 flat angles P-C4'-P energy: -71.153 tors. eta vs tors. theta energy: -124.626 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: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1410.137310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.137310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.137310 (E_RNA) where: Base-Base interactions energy: -952.769 where: short stacking energy: -402.979 Base-Backbone interact. energy: 0.739 local terms energy: -458.107058 where: bonds (distance) C4'-P energy: -79.840 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -97.921 flat angles P-C4'-P energy: -70.870 tors. eta vs tors. theta energy: -123.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1324.064785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.064785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.064785 (E_RNA) where: Base-Base interactions energy: -900.230 where: short stacking energy: -390.502 Base-Backbone interact. energy: -1.006 local terms energy: -422.828403 where: bonds (distance) C4'-P energy: -82.359 bonds (distance) P-C4' energy: -88.929 flat angles C4'-P-C4' energy: -97.093 flat angles P-C4'-P energy: -53.224 tors. eta vs tors. theta energy: -101.223 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: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1232.232620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.232620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.232620 (E_RNA) where: Base-Base interactions energy: -803.958 where: short stacking energy: -353.950 Base-Backbone interact. energy: -3.344 local terms energy: -424.931083 where: bonds (distance) C4'-P energy: -80.380 bonds (distance) P-C4' energy: -99.504 flat angles C4'-P-C4' energy: -83.169 flat angles P-C4'-P energy: -70.266 tors. eta vs tors. theta energy: -91.612 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: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1120.722823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.722823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.722823 (E_RNA) where: Base-Base interactions energy: -752.241 where: short stacking energy: -308.599 Base-Backbone interact. energy: 0.053 local terms energy: -368.535346 where: bonds (distance) C4'-P energy: -76.571 bonds (distance) P-C4' energy: -91.393 flat angles C4'-P-C4' energy: -80.572 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: -73.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -768.746549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.746549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.746549 (E_RNA) where: Base-Base interactions energy: -456.687 where: short stacking energy: -204.163 Base-Backbone interact. energy: 0.545 local terms energy: -312.604782 where: bonds (distance) C4'-P energy: -82.554 bonds (distance) P-C4' energy: -67.696 flat angles C4'-P-C4' energy: -75.388 flat angles P-C4'-P energy: -48.748 tors. eta vs tors. theta energy: -38.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -708.610273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.610273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.610273 (E_RNA) where: Base-Base interactions energy: -390.019 where: short stacking energy: -190.148 Base-Backbone interact. energy: -0.272 local terms energy: -318.319707 where: bonds (distance) C4'-P energy: -81.784 bonds (distance) P-C4' energy: -69.933 flat angles C4'-P-C4' energy: -96.523 flat angles P-C4'-P energy: -40.553 tors. eta vs tors. theta energy: -29.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -535.275422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.275422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.275422 (E_RNA) where: Base-Base interactions energy: -281.500 where: short stacking energy: -162.191 Base-Backbone interact. energy: 0.291 local terms energy: -254.066663 where: bonds (distance) C4'-P energy: -76.998 bonds (distance) P-C4' energy: -76.233 flat angles C4'-P-C4' energy: -62.962 flat angles P-C4'-P energy: -30.497 tors. eta vs tors. theta energy: -7.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -462.770276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.770276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.770276 (E_RNA) where: Base-Base interactions energy: -223.279 where: short stacking energy: -130.583 Base-Backbone interact. energy: 9.690 local terms energy: -249.180767 where: bonds (distance) C4'-P energy: -79.426 bonds (distance) P-C4' energy: -81.402 flat angles C4'-P-C4' energy: -58.455 flat angles P-C4'-P energy: -32.238 tors. eta vs tors. theta energy: 2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1571.511366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.511366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.511366 (E_RNA) where: Base-Base interactions energy: -1087.117 where: short stacking energy: -471.736 Base-Backbone interact. energy: -1.185 local terms energy: -483.209615 where: bonds (distance) C4'-P energy: -83.069 bonds (distance) P-C4' energy: -86.832 flat angles C4'-P-C4' energy: -98.312 flat angles P-C4'-P energy: -78.926 tors. eta vs tors. theta energy: -136.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1502.187043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.187043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.187043 (E_RNA) where: Base-Base interactions energy: -1026.343 where: short stacking energy: -416.288 Base-Backbone interact. energy: -1.675 local terms energy: -474.169939 where: bonds (distance) C4'-P energy: -101.834 bonds (distance) P-C4' energy: -74.890 flat angles C4'-P-C4' energy: -103.141 flat angles P-C4'-P energy: -69.559 tors. eta vs tors. theta energy: -124.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1410.031074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.031074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.031074 (E_RNA) where: Base-Base interactions energy: -945.705 where: short stacking energy: -398.132 Base-Backbone interact. energy: -0.415 local terms energy: -463.911796 where: bonds (distance) C4'-P energy: -91.957 bonds (distance) P-C4' energy: -89.083 flat angles C4'-P-C4' energy: -99.426 flat angles P-C4'-P energy: -67.332 tors. eta vs tors. theta energy: -116.114 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: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1297.816380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.816380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.816380 (E_RNA) where: Base-Base interactions energy: -884.248 where: short stacking energy: -367.523 Base-Backbone interact. energy: -1.060 local terms energy: -412.508701 where: bonds (distance) C4'-P energy: -85.836 bonds (distance) P-C4' energy: -92.694 flat angles C4'-P-C4' energy: -88.526 flat angles P-C4'-P energy: -48.258 tors. eta vs tors. theta energy: -97.195 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: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1242.419252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.419252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.419252 (E_RNA) where: Base-Base interactions energy: -855.971 where: short stacking energy: -363.461 Base-Backbone interact. energy: 6.539 local terms energy: -392.987345 where: bonds (distance) C4'-P energy: -75.405 bonds (distance) P-C4' energy: -63.391 flat angles C4'-P-C4' energy: -86.022 flat angles P-C4'-P energy: -68.755 tors. eta vs tors. theta energy: -99.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1127.538087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.538087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.538087 (E_RNA) where: Base-Base interactions energy: -767.833 where: short stacking energy: -310.812 Base-Backbone interact. energy: -0.462 local terms energy: -359.243595 where: bonds (distance) C4'-P energy: -64.806 bonds (distance) P-C4' energy: -76.334 flat angles C4'-P-C4' energy: -78.796 flat angles P-C4'-P energy: -49.094 tors. eta vs tors. theta energy: -90.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -870.153249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.153249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.153249 (E_RNA) where: Base-Base interactions energy: -546.289 where: short stacking energy: -256.642 Base-Backbone interact. energy: 0.631 local terms energy: -324.495291 where: bonds (distance) C4'-P energy: -75.888 bonds (distance) P-C4' energy: -79.596 flat angles C4'-P-C4' energy: -76.194 flat angles P-C4'-P energy: -35.735 tors. eta vs tors. theta energy: -57.082 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: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -685.126547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.126547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.126547 (E_RNA) where: Base-Base interactions energy: -400.840 where: short stacking energy: -179.805 Base-Backbone interact. energy: 0.213 local terms energy: -284.499878 where: bonds (distance) C4'-P energy: -73.397 bonds (distance) P-C4' energy: -81.835 flat angles C4'-P-C4' energy: -72.737 flat angles P-C4'-P energy: -40.256 tors. eta vs tors. theta energy: -16.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -595.284859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.284859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.284859 (E_RNA) where: Base-Base interactions energy: -292.572 where: short stacking energy: -165.635 Base-Backbone interact. energy: -1.592 local terms energy: -301.120859 where: bonds (distance) C4'-P energy: -72.182 bonds (distance) P-C4' energy: -78.845 flat angles C4'-P-C4' energy: -75.314 flat angles P-C4'-P energy: -56.077 tors. eta vs tors. theta energy: -18.703 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: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -410.118821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.118821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.118821 (E_RNA) where: Base-Base interactions energy: -168.928 where: short stacking energy: -112.300 Base-Backbone interact. energy: 1.818 local terms energy: -243.008874 where: bonds (distance) C4'-P energy: -68.453 bonds (distance) P-C4' energy: -64.445 flat angles C4'-P-C4' energy: -74.496 flat angles P-C4'-P energy: -48.065 tors. eta vs tors. theta energy: 12.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1577.615260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.615260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.615260 (E_RNA) where: Base-Base interactions energy: -1080.443 where: short stacking energy: -447.682 Base-Backbone interact. energy: -1.798 local terms energy: -495.373873 where: bonds (distance) C4'-P energy: -96.019 bonds (distance) P-C4' energy: -93.556 flat angles C4'-P-C4' energy: -107.379 flat angles P-C4'-P energy: -62.520 tors. eta vs tors. theta energy: -135.901 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: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1499.584152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.584152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.584152 (E_RNA) where: Base-Base interactions energy: -1034.380 where: short stacking energy: -418.350 Base-Backbone interact. energy: -3.744 local terms energy: -461.460352 where: bonds (distance) C4'-P energy: -91.673 bonds (distance) P-C4' energy: -81.030 flat angles C4'-P-C4' energy: -95.783 flat angles P-C4'-P energy: -65.929 tors. eta vs tors. theta energy: -127.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1444.296549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.296549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.296549 (E_RNA) where: Base-Base interactions energy: -989.378 where: short stacking energy: -413.823 Base-Backbone interact. energy: -1.790 local terms energy: -453.128047 where: bonds (distance) C4'-P energy: -73.456 bonds (distance) P-C4' energy: -94.014 flat angles C4'-P-C4' energy: -100.717 flat angles P-C4'-P energy: -64.085 tors. eta vs tors. theta energy: -120.856 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: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1308.977390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.977390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.977390 (E_RNA) where: Base-Base interactions energy: -878.792 where: short stacking energy: -387.193 Base-Backbone interact. energy: -0.235 local terms energy: -429.950500 where: bonds (distance) C4'-P energy: -84.458 bonds (distance) P-C4' energy: -74.014 flat angles C4'-P-C4' energy: -94.888 flat angles P-C4'-P energy: -65.480 tors. eta vs tors. theta energy: -111.110 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: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1251.246753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.246753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.246753 (E_RNA) where: Base-Base interactions energy: -833.270 where: short stacking energy: -341.081 Base-Backbone interact. energy: -3.529 local terms energy: -414.446879 where: bonds (distance) C4'-P energy: -79.778 bonds (distance) P-C4' energy: -87.687 flat angles C4'-P-C4' energy: -95.242 flat angles P-C4'-P energy: -59.746 tors. eta vs tors. theta energy: -91.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1093.652178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.652178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.652178 (E_RNA) where: Base-Base interactions energy: -696.443 where: short stacking energy: -308.575 Base-Backbone interact. energy: -2.312 local terms energy: -394.896702 where: bonds (distance) C4'-P energy: -78.262 bonds (distance) P-C4' energy: -79.879 flat angles C4'-P-C4' energy: -92.097 flat angles P-C4'-P energy: -59.842 tors. eta vs tors. theta energy: -84.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -782.503862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.503862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.503862 (E_RNA) where: Base-Base interactions energy: -451.905 where: short stacking energy: -202.369 Base-Backbone interact. energy: -2.211 local terms energy: -328.388102 where: bonds (distance) C4'-P energy: -84.644 bonds (distance) P-C4' energy: -88.409 flat angles C4'-P-C4' energy: -64.665 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -28.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -706.069998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.069998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.069998 (E_RNA) where: Base-Base interactions energy: -422.389 where: short stacking energy: -204.920 Base-Backbone interact. energy: 0.977 local terms energy: -284.658459 where: bonds (distance) C4'-P energy: -70.008 bonds (distance) P-C4' energy: -74.678 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -46.597 tors. eta vs tors. theta energy: -24.675 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: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -551.947646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.947646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.947646 (E_RNA) where: Base-Base interactions energy: -282.209 where: short stacking energy: -143.363 Base-Backbone interact. energy: -0.117 local terms energy: -269.621201 where: bonds (distance) C4'-P energy: -75.233 bonds (distance) P-C4' energy: -79.843 flat angles C4'-P-C4' energy: -79.598 flat angles P-C4'-P energy: -40.661 tors. eta vs tors. theta energy: 5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -393.638728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.638728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.638728 (E_RNA) where: Base-Base interactions energy: -169.341 where: short stacking energy: -112.052 Base-Backbone interact. energy: -0.953 local terms energy: -223.344747 where: bonds (distance) C4'-P energy: -47.237 bonds (distance) P-C4' energy: -74.155 flat angles C4'-P-C4' energy: -64.534 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: 2.536 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: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1553.683427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.683427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.683427 (E_RNA) where: Base-Base interactions energy: -1056.116 where: short stacking energy: -436.614 Base-Backbone interact. energy: -3.863 local terms energy: -493.704740 where: bonds (distance) C4'-P energy: -96.674 bonds (distance) P-C4' energy: -90.354 flat angles C4'-P-C4' energy: -105.911 flat angles P-C4'-P energy: -72.055 tors. eta vs tors. theta energy: -128.710 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: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1530.879857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.879857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.879857 (E_RNA) where: Base-Base interactions energy: -1058.510 where: short stacking energy: -448.077 Base-Backbone interact. energy: 0.565 local terms energy: -472.935411 where: bonds (distance) C4'-P energy: -86.791 bonds (distance) P-C4' energy: -83.751 flat angles C4'-P-C4' energy: -108.693 flat angles P-C4'-P energy: -62.930 tors. eta vs tors. theta energy: -130.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1415.190865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.190865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.190865 (E_RNA) where: Base-Base interactions energy: -971.921 where: short stacking energy: -409.265 Base-Backbone interact. energy: -1.824 local terms energy: -441.446298 where: bonds (distance) C4'-P energy: -86.398 bonds (distance) P-C4' energy: -89.599 flat angles C4'-P-C4' energy: -81.377 flat angles P-C4'-P energy: -67.215 tors. eta vs tors. theta energy: -116.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1287.772567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.772567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.772567 (E_RNA) where: Base-Base interactions energy: -837.566 where: short stacking energy: -359.433 Base-Backbone interact. energy: -1.110 local terms energy: -449.095896 where: bonds (distance) C4'-P energy: -83.293 bonds (distance) P-C4' energy: -94.518 flat angles C4'-P-C4' energy: -103.440 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -113.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1227.768967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.768967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.768967 (E_RNA) where: Base-Base interactions energy: -818.722 where: short stacking energy: -367.676 Base-Backbone interact. energy: -1.554 local terms energy: -407.492891 where: bonds (distance) C4'-P energy: -89.335 bonds (distance) P-C4' energy: -69.676 flat angles C4'-P-C4' energy: -98.476 flat angles P-C4'-P energy: -53.140 tors. eta vs tors. theta energy: -96.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1060.308529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.308529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.308529 (E_RNA) where: Base-Base interactions energy: -718.078 where: short stacking energy: -318.685 Base-Backbone interact. energy: -0.641 local terms energy: -341.589646 where: bonds (distance) C4'-P energy: -68.696 bonds (distance) P-C4' energy: -68.906 flat angles C4'-P-C4' energy: -87.824 flat angles P-C4'-P energy: -53.439 tors. eta vs tors. theta energy: -62.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -722.742818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.742818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.742818 (E_RNA) where: Base-Base interactions energy: -406.895 where: short stacking energy: -216.678 Base-Backbone interact. energy: 1.416 local terms energy: -317.263728 where: bonds (distance) C4'-P energy: -66.550 bonds (distance) P-C4' energy: -79.911 flat angles C4'-P-C4' energy: -76.814 flat angles P-C4'-P energy: -52.679 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: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -662.240954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.240954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.240954 (E_RNA) where: Base-Base interactions energy: -356.653 where: short stacking energy: -193.874 Base-Backbone interact. energy: -2.868 local terms energy: -302.719579 where: bonds (distance) C4'-P energy: -86.117 bonds (distance) P-C4' energy: -84.158 flat angles C4'-P-C4' energy: -71.622 flat angles P-C4'-P energy: -40.034 tors. eta vs tors. theta energy: -20.788 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: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -541.401813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.401813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.401813 (E_RNA) where: Base-Base interactions energy: -273.558 where: short stacking energy: -148.241 Base-Backbone interact. energy: -0.562 local terms energy: -267.282592 where: bonds (distance) C4'-P energy: -79.594 bonds (distance) P-C4' energy: -60.516 flat angles C4'-P-C4' energy: -81.365 flat angles P-C4'-P energy: -42.052 tors. eta vs tors. theta energy: -3.756 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: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -376.794723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.794723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.794723 (E_RNA) where: Base-Base interactions energy: -129.374 where: short stacking energy: -92.680 Base-Backbone interact. energy: -1.633 local terms energy: -245.787661 where: bonds (distance) C4'-P energy: -73.160 bonds (distance) P-C4' energy: -78.847 flat angles C4'-P-C4' energy: -58.389 flat angles P-C4'-P energy: -34.684 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1544.462500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.462500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.462500 (E_RNA) where: Base-Base interactions energy: -1062.137 where: short stacking energy: -450.242 Base-Backbone interact. energy: -2.368 local terms energy: -479.957499 where: bonds (distance) C4'-P energy: -81.754 bonds (distance) P-C4' energy: -102.887 flat angles C4'-P-C4' energy: -106.746 flat angles P-C4'-P energy: -61.883 tors. eta vs tors. theta energy: -126.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1508.450026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.450026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.450026 (E_RNA) where: Base-Base interactions energy: -1043.482 where: short stacking energy: -442.768 Base-Backbone interact. energy: -0.909 local terms energy: -464.058854 where: bonds (distance) C4'-P energy: -79.797 bonds (distance) P-C4' energy: -88.346 flat angles C4'-P-C4' energy: -105.694 flat angles P-C4'-P energy: -54.109 tors. eta vs tors. theta energy: -136.113 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: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1410.911495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.911495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.911495 (E_RNA) where: Base-Base interactions energy: -966.326 where: short stacking energy: -399.313 Base-Backbone interact. energy: -1.942 local terms energy: -442.643548 where: bonds (distance) C4'-P energy: -78.833 bonds (distance) P-C4' energy: -92.065 flat angles C4'-P-C4' energy: -91.907 flat angles P-C4'-P energy: -65.058 tors. eta vs tors. theta energy: -114.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1302.210637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.210637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.210637 (E_RNA) where: Base-Base interactions energy: -884.578 where: short stacking energy: -390.231 Base-Backbone interact. energy: -4.186 local terms energy: -413.446702 where: bonds (distance) C4'-P energy: -72.429 bonds (distance) P-C4' energy: -78.582 flat angles C4'-P-C4' energy: -95.824 flat angles P-C4'-P energy: -61.195 tors. eta vs tors. theta energy: -105.416 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: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1211.259817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.259817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.259817 (E_RNA) where: Base-Base interactions energy: -795.085 where: short stacking energy: -328.837 Base-Backbone interact. energy: -5.084 local terms energy: -411.090986 where: bonds (distance) C4'-P energy: -76.557 bonds (distance) P-C4' energy: -91.842 flat angles C4'-P-C4' energy: -89.794 flat angles P-C4'-P energy: -57.426 tors. eta vs tors. theta energy: -95.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1096.926167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.926167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.926167 (E_RNA) where: Base-Base interactions energy: -732.541 where: short stacking energy: -304.932 Base-Backbone interact. energy: -2.097 local terms energy: -362.288318 where: bonds (distance) C4'-P energy: -74.100 bonds (distance) P-C4' energy: -83.537 flat angles C4'-P-C4' energy: -79.452 flat angles P-C4'-P energy: -53.629 tors. eta vs tors. theta energy: -71.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -774.191962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.191962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.191962 (E_RNA) where: Base-Base interactions energy: -456.401 where: short stacking energy: -224.152 Base-Backbone interact. energy: -3.040 local terms energy: -314.751864 where: bonds (distance) C4'-P energy: -77.625 bonds (distance) P-C4' energy: -73.695 flat angles C4'-P-C4' energy: -77.656 flat angles P-C4'-P energy: -49.051 tors. eta vs tors. theta energy: -36.724 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: 10 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -698.619820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.619820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.619820 (E_RNA) where: Base-Base interactions energy: -382.804 where: short stacking energy: -209.099 Base-Backbone interact. energy: -0.419 local terms energy: -315.396729 where: bonds (distance) C4'-P energy: -66.933 bonds (distance) P-C4' energy: -75.298 flat angles C4'-P-C4' energy: -85.542 flat angles P-C4'-P energy: -47.321 tors. eta vs tors. theta energy: -40.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -537.633792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.633792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.633792 (E_RNA) where: Base-Base interactions energy: -287.738 where: short stacking energy: -158.952 Base-Backbone interact. energy: 0.212 local terms energy: -250.106988 where: bonds (distance) C4'-P energy: -75.366 bonds (distance) P-C4' energy: -67.022 flat angles C4'-P-C4' energy: -63.317 flat angles P-C4'-P energy: -44.432 tors. eta vs tors. theta energy: 0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -356.491994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.491994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.491994 (E_RNA) where: Base-Base interactions energy: -130.651 where: short stacking energy: -97.373 Base-Backbone interact. energy: -0.946 local terms energy: -224.895101 where: bonds (distance) C4'-P energy: -66.878 bonds (distance) P-C4' energy: -58.373 flat angles C4'-P-C4' energy: -72.736 flat angles P-C4'-P energy: -32.712 tors. eta vs tors. theta energy: 5.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1551.054553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.054553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.054553 (E_RNA) where: Base-Base interactions energy: -1063.659 where: short stacking energy: -437.099 Base-Backbone interact. energy: -2.149 local terms energy: -485.246283 where: bonds (distance) C4'-P energy: -89.483 bonds (distance) P-C4' energy: -91.185 flat angles C4'-P-C4' energy: -111.655 flat angles P-C4'-P energy: -60.785 tors. eta vs tors. theta energy: -132.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1503.445727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.445727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.445727 (E_RNA) where: Base-Base interactions energy: -1025.780 where: short stacking energy: -424.178 Base-Backbone interact. energy: -1.841 local terms energy: -475.824554 where: bonds (distance) C4'-P energy: -80.168 bonds (distance) P-C4' energy: -86.190 flat angles C4'-P-C4' energy: -104.801 flat angles P-C4'-P energy: -71.182 tors. eta vs tors. theta energy: -133.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1414.323435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.323435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.323435 (E_RNA) where: Base-Base interactions energy: -953.641 where: short stacking energy: -408.833 Base-Backbone interact. energy: 2.128 local terms energy: -462.811098 where: bonds (distance) C4'-P energy: -85.099 bonds (distance) P-C4' energy: -90.513 flat angles C4'-P-C4' energy: -99.309 flat angles P-C4'-P energy: -72.208 tors. eta vs tors. theta energy: -115.682 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: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1298.774536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.774536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.774536 (E_RNA) where: Base-Base interactions energy: -871.704 where: short stacking energy: -368.117 Base-Backbone interact. energy: -1.346 local terms energy: -425.724889 where: bonds (distance) C4'-P energy: -91.989 bonds (distance) P-C4' energy: -82.206 flat angles C4'-P-C4' energy: -99.149 flat angles P-C4'-P energy: -50.741 tors. eta vs tors. theta energy: -101.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1161.654057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.654057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.654057 (E_RNA) where: Base-Base interactions energy: -769.876 where: short stacking energy: -332.264 Base-Backbone interact. energy: -2.242 local terms energy: -389.536330 where: bonds (distance) C4'-P energy: -81.738 bonds (distance) P-C4' energy: -86.576 flat angles C4'-P-C4' energy: -80.884 flat angles P-C4'-P energy: -51.089 tors. eta vs tors. theta energy: -89.250 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: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1114.013580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.013580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.013580 (E_RNA) where: Base-Base interactions energy: -740.871 where: short stacking energy: -323.379 Base-Backbone interact. energy: -0.463 local terms energy: -372.679208 where: bonds (distance) C4'-P energy: -74.306 bonds (distance) P-C4' energy: -85.438 flat angles C4'-P-C4' energy: -80.409 flat angles P-C4'-P energy: -51.266 tors. eta vs tors. theta energy: -81.260 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: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -770.335649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.335649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.335649 (E_RNA) where: Base-Base interactions energy: -454.234 where: short stacking energy: -222.578 Base-Backbone interact. energy: -0.292 local terms energy: -315.809069 where: bonds (distance) C4'-P energy: -75.776 bonds (distance) P-C4' energy: -72.481 flat angles C4'-P-C4' energy: -74.698 flat angles P-C4'-P energy: -53.865 tors. eta vs tors. theta energy: -38.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -671.796034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.796034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.796034 (E_RNA) where: Base-Base interactions energy: -386.140 where: short stacking energy: -162.518 Base-Backbone interact. energy: 0.414 local terms energy: -286.069555 where: bonds (distance) C4'-P energy: -79.007 bonds (distance) P-C4' energy: -77.985 flat angles C4'-P-C4' energy: -71.321 flat angles P-C4'-P energy: -49.943 tors. eta vs tors. theta energy: -7.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -583.367264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.367264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.367264 (E_RNA) where: Base-Base interactions energy: -302.047 where: short stacking energy: -154.044 Base-Backbone interact. energy: -1.496 local terms energy: -279.825118 where: bonds (distance) C4'-P energy: -69.195 bonds (distance) P-C4' energy: -76.257 flat angles C4'-P-C4' energy: -73.853 flat angles P-C4'-P energy: -44.838 tors. eta vs tors. theta energy: -15.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -377.425397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.425397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.425397 (E_RNA) where: Base-Base interactions energy: -135.836 where: short stacking energy: -102.674 Base-Backbone interact. energy: 5.624 local terms energy: -247.213830 where: bonds (distance) C4'-P energy: -65.054 bonds (distance) P-C4' energy: -83.851 flat angles C4'-P-C4' energy: -62.776 flat angles P-C4'-P energy: -36.313 tors. eta vs tors. theta energy: 0.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1575.146857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.146857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.146857 (E_RNA) where: Base-Base interactions energy: -1067.626 where: short stacking energy: -428.838 Base-Backbone interact. energy: -2.888 local terms energy: -504.632825 where: bonds (distance) C4'-P energy: -94.445 bonds (distance) P-C4' energy: -91.361 flat angles C4'-P-C4' energy: -112.004 flat angles P-C4'-P energy: -77.025 tors. eta vs tors. theta energy: -129.798 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: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1519.280936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.280936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.280936 (E_RNA) where: Base-Base interactions energy: -1041.907 where: short stacking energy: -460.040 Base-Backbone interact. energy: -2.114 local terms energy: -475.259915 where: bonds (distance) C4'-P energy: -86.874 bonds (distance) P-C4' energy: -84.084 flat angles C4'-P-C4' energy: -100.163 flat angles P-C4'-P energy: -62.331 tors. eta vs tors. theta energy: -141.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1411.157712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.157712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.157712 (E_RNA) where: Base-Base interactions energy: -956.734 where: short stacking energy: -376.243 Base-Backbone interact. energy: -2.693 local terms energy: -451.731081 where: bonds (distance) C4'-P energy: -76.588 bonds (distance) P-C4' energy: -86.617 flat angles C4'-P-C4' energy: -111.519 flat angles P-C4'-P energy: -67.407 tors. eta vs tors. theta energy: -109.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1294.276675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.276675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.276675 (E_RNA) where: Base-Base interactions energy: -852.303 where: short stacking energy: -365.658 Base-Backbone interact. energy: -1.408 local terms energy: -440.565423 where: bonds (distance) C4'-P energy: -90.478 bonds (distance) P-C4' energy: -85.090 flat angles C4'-P-C4' energy: -93.043 flat angles P-C4'-P energy: -65.680 tors. eta vs tors. theta energy: -106.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1191.057589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.057589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.057589 (E_RNA) where: Base-Base interactions energy: -795.641 where: short stacking energy: -361.781 Base-Backbone interact. energy: -1.210 local terms energy: -394.206957 where: bonds (distance) C4'-P energy: -66.467 bonds (distance) P-C4' energy: -78.971 flat angles C4'-P-C4' energy: -85.686 flat angles P-C4'-P energy: -60.081 tors. eta vs tors. theta energy: -103.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1128.917712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.917712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.917712 (E_RNA) where: Base-Base interactions energy: -764.797 where: short stacking energy: -316.524 Base-Backbone interact. energy: -3.623 local terms energy: -360.497692 where: bonds (distance) C4'-P energy: -81.844 bonds (distance) P-C4' energy: -73.084 flat angles C4'-P-C4' energy: -84.443 flat angles P-C4'-P energy: -39.761 tors. eta vs tors. theta energy: -81.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -780.707917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.707917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.707917 (E_RNA) where: Base-Base interactions energy: -453.494 where: short stacking energy: -216.328 Base-Backbone interact. energy: -1.127 local terms energy: -326.086923 where: bonds (distance) C4'-P energy: -82.773 bonds (distance) P-C4' energy: -74.275 flat angles C4'-P-C4' energy: -72.210 flat angles P-C4'-P energy: -60.502 tors. eta vs tors. theta energy: -36.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -666.957402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.957402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.957402 (E_RNA) where: Base-Base interactions energy: -368.746 where: short stacking energy: -212.435 Base-Backbone interact. energy: -1.994 local terms energy: -296.217274 where: bonds (distance) C4'-P energy: -66.754 bonds (distance) P-C4' energy: -71.743 flat angles C4'-P-C4' energy: -80.201 flat angles P-C4'-P energy: -45.759 tors. eta vs tors. theta energy: -31.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -538.742641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.742641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.742641 (E_RNA) where: Base-Base interactions energy: -264.020 where: short stacking energy: -145.415 Base-Backbone interact. energy: -2.379 local terms energy: -272.344228 where: bonds (distance) C4'-P energy: -79.281 bonds (distance) P-C4' energy: -76.730 flat angles C4'-P-C4' energy: -64.675 flat angles P-C4'-P energy: -49.153 tors. eta vs tors. theta energy: -2.506 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: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -361.844572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.844572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.844572 (E_RNA) where: Base-Base interactions energy: -109.039 where: short stacking energy: -97.956 Base-Backbone interact. energy: 2.380 local terms energy: -255.185437 where: bonds (distance) C4'-P energy: -68.198 bonds (distance) P-C4' energy: -71.956 flat angles C4'-P-C4' energy: -72.891 flat angles P-C4'-P energy: -43.117 tors. eta vs tors. theta energy: 0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1560.648234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.648234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.648234 (E_RNA) where: Base-Base interactions energy: -1075.720 where: short stacking energy: -460.120 Base-Backbone interact. energy: -0.482 local terms energy: -484.446381 where: bonds (distance) C4'-P energy: -83.035 bonds (distance) P-C4' energy: -91.111 flat angles C4'-P-C4' energy: -102.205 flat angles P-C4'-P energy: -68.497 tors. eta vs tors. theta energy: -139.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1513.848291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.848291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.848291 (E_RNA) where: Base-Base interactions energy: -1014.637 where: short stacking energy: -411.656 Base-Backbone interact. energy: -0.511 local terms energy: -498.700237 where: bonds (distance) C4'-P energy: -99.121 bonds (distance) P-C4' energy: -89.193 flat angles C4'-P-C4' energy: -104.719 flat angles P-C4'-P energy: -71.328 tors. eta vs tors. theta energy: -134.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1412.267013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.267013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.267013 (E_RNA) where: Base-Base interactions energy: -949.522 where: short stacking energy: -385.744 Base-Backbone interact. energy: -1.594 local terms energy: -461.150906 where: bonds (distance) C4'-P energy: -85.043 bonds (distance) P-C4' energy: -93.960 flat angles C4'-P-C4' energy: -102.163 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -124.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1249.815234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.815234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.815234 (E_RNA) where: Base-Base interactions energy: -832.735 where: short stacking energy: -367.050 Base-Backbone interact. energy: -1.030 local terms energy: -416.050419 where: bonds (distance) C4'-P energy: -82.974 bonds (distance) P-C4' energy: -84.904 flat angles C4'-P-C4' energy: -85.468 flat angles P-C4'-P energy: -65.705 tors. eta vs tors. theta energy: -97.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1209.360463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.360463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.360463 (E_RNA) where: Base-Base interactions energy: -797.736 where: short stacking energy: -346.970 Base-Backbone interact. energy: 0.988 local terms energy: -412.612578 where: bonds (distance) C4'-P energy: -80.445 bonds (distance) P-C4' energy: -89.107 flat angles C4'-P-C4' energy: -86.211 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -102.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1119.183417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.183417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.183417 (E_RNA) where: Base-Base interactions energy: -730.942 where: short stacking energy: -321.854 Base-Backbone interact. energy: -2.461 local terms energy: -385.780167 where: bonds (distance) C4'-P energy: -76.998 bonds (distance) P-C4' energy: -82.051 flat angles C4'-P-C4' energy: -96.400 flat angles P-C4'-P energy: -53.719 tors. eta vs tors. theta energy: -76.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -813.183170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.183170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.183170 (E_RNA) where: Base-Base interactions energy: -469.727 where: short stacking energy: -226.274 Base-Backbone interact. energy: -5.268 local terms energy: -338.187584 where: bonds (distance) C4'-P energy: -77.786 bonds (distance) P-C4' energy: -86.844 flat angles C4'-P-C4' energy: -72.331 flat angles P-C4'-P energy: -46.628 tors. eta vs tors. theta energy: -54.598 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: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -641.008147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.008147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.008147 (E_RNA) where: Base-Base interactions energy: -334.498 where: short stacking energy: -192.498 Base-Backbone interact. energy: -1.984 local terms energy: -304.525942 where: bonds (distance) C4'-P energy: -77.731 bonds (distance) P-C4' energy: -91.905 flat angles C4'-P-C4' energy: -63.507 flat angles P-C4'-P energy: -41.995 tors. eta vs tors. theta energy: -29.388 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: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -561.299716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.299716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.299716 (E_RNA) where: Base-Base interactions energy: -260.727 where: short stacking energy: -154.986 Base-Backbone interact. energy: 2.563 local terms energy: -303.135426 where: bonds (distance) C4'-P energy: -66.026 bonds (distance) P-C4' energy: -91.788 flat angles C4'-P-C4' energy: -76.679 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -28.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -345.394310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.394310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.394310 (E_RNA) where: Base-Base interactions energy: -137.665 where: short stacking energy: -92.972 Base-Backbone interact. energy: 2.713 local terms energy: -210.441991 where: bonds (distance) C4'-P energy: -72.125 bonds (distance) P-C4' energy: -71.504 flat angles C4'-P-C4' energy: -58.728 flat angles P-C4'-P energy: -30.626 tors. eta vs tors. theta energy: 22.541 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: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1571.216814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.216814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.216814 (E_RNA) where: Base-Base interactions energy: -1069.673 where: short stacking energy: -448.618 Base-Backbone interact. energy: -0.294 local terms energy: -501.249993 where: bonds (distance) C4'-P energy: -93.777 bonds (distance) P-C4' energy: -92.097 flat angles C4'-P-C4' energy: -110.501 flat angles P-C4'-P energy: -70.109 tors. eta vs tors. theta energy: -134.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1520.141222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.141222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.141222 (E_RNA) where: Base-Base interactions energy: -1070.011 where: short stacking energy: -424.857 Base-Backbone interact. energy: -2.938 local terms energy: -447.192076 where: bonds (distance) C4'-P energy: -77.295 bonds (distance) P-C4' energy: -78.655 flat angles C4'-P-C4' energy: -99.298 flat angles P-C4'-P energy: -61.119 tors. eta vs tors. theta energy: -130.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1409.462175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.462175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.462175 (E_RNA) where: Base-Base interactions energy: -957.532 where: short stacking energy: -400.726 Base-Backbone interact. energy: -0.851 local terms energy: -451.079272 where: bonds (distance) C4'-P energy: -80.032 bonds (distance) P-C4' energy: -86.275 flat angles C4'-P-C4' energy: -92.172 flat angles P-C4'-P energy: -67.665 tors. eta vs tors. theta energy: -124.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1265.266525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.266525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.266525 (E_RNA) where: Base-Base interactions energy: -863.583 where: short stacking energy: -376.100 Base-Backbone interact. energy: -0.413 local terms energy: -401.271023 where: bonds (distance) C4'-P energy: -87.880 bonds (distance) P-C4' energy: -75.809 flat angles C4'-P-C4' energy: -87.983 flat angles P-C4'-P energy: -49.943 tors. eta vs tors. theta energy: -99.656 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: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1183.937768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.937768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.937768 (E_RNA) where: Base-Base interactions energy: -802.885 where: short stacking energy: -321.291 Base-Backbone interact. energy: -3.478 local terms energy: -377.574539 where: bonds (distance) C4'-P energy: -67.345 bonds (distance) P-C4' energy: -85.030 flat angles C4'-P-C4' energy: -74.375 flat angles P-C4'-P energy: -65.138 tors. eta vs tors. theta energy: -85.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1080.479297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.479297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.479297 (E_RNA) where: Base-Base interactions energy: -700.108 where: short stacking energy: -300.632 Base-Backbone interact. energy: -1.957 local terms energy: -378.414434 where: bonds (distance) C4'-P energy: -79.019 bonds (distance) P-C4' energy: -84.813 flat angles C4'-P-C4' energy: -91.776 flat angles P-C4'-P energy: -55.781 tors. eta vs tors. theta energy: -67.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -811.314338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.314338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.314338 (E_RNA) where: Base-Base interactions energy: -454.865 where: short stacking energy: -210.481 Base-Backbone interact. energy: -1.378 local terms energy: -355.070772 where: bonds (distance) C4'-P energy: -78.541 bonds (distance) P-C4' energy: -93.482 flat angles C4'-P-C4' energy: -77.892 flat angles P-C4'-P energy: -66.429 tors. eta vs tors. theta energy: -38.728 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: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -601.009685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.009685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.009685 (E_RNA) where: Base-Base interactions energy: -319.964 where: short stacking energy: -168.798 Base-Backbone interact. energy: 0.208 local terms energy: -281.253803 where: bonds (distance) C4'-P energy: -74.255 bonds (distance) P-C4' energy: -81.998 flat angles C4'-P-C4' energy: -71.906 flat angles P-C4'-P energy: -39.455 tors. eta vs tors. theta energy: -13.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -565.584140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.584140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.584140 (E_RNA) where: Base-Base interactions energy: -308.122 where: short stacking energy: -147.333 Base-Backbone interact. energy: 3.573 local terms energy: -261.034718 where: bonds (distance) C4'-P energy: -65.825 bonds (distance) P-C4' energy: -73.973 flat angles C4'-P-C4' energy: -58.995 flat angles P-C4'-P energy: -53.950 tors. eta vs tors. theta energy: -8.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -343.924447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.924447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.924447 (E_RNA) where: Base-Base interactions energy: -140.092 where: short stacking energy: -125.005 Base-Backbone interact. energy: -0.272 local terms energy: -203.560950 where: bonds (distance) C4'-P energy: -65.507 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -46.389 flat angles P-C4'-P energy: -29.894 tors. eta vs tors. theta energy: -1.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1561.271231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.271231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.271231 (E_RNA) where: Base-Base interactions energy: -1079.616 where: short stacking energy: -446.703 Base-Backbone interact. energy: 1.167 local terms energy: -482.821724 where: bonds (distance) C4'-P energy: -81.661 bonds (distance) P-C4' energy: -91.187 flat angles C4'-P-C4' energy: -98.329 flat angles P-C4'-P energy: -73.755 tors. eta vs tors. theta energy: -137.890 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: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1494.074773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.074773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.074773 (E_RNA) where: Base-Base interactions energy: -1018.045 where: short stacking energy: -419.616 Base-Backbone interact. energy: 0.172 local terms energy: -476.202131 where: bonds (distance) C4'-P energy: -88.687 bonds (distance) P-C4' energy: -88.617 flat angles C4'-P-C4' energy: -95.462 flat angles P-C4'-P energy: -77.421 tors. eta vs tors. theta energy: -126.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1399.871551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.871551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.871551 (E_RNA) where: Base-Base interactions energy: -959.077 where: short stacking energy: -389.680 Base-Backbone interact. energy: -1.761 local terms energy: -439.032924 where: bonds (distance) C4'-P energy: -84.723 bonds (distance) P-C4' energy: -97.815 flat angles C4'-P-C4' energy: -94.329 flat angles P-C4'-P energy: -46.403 tors. eta vs tors. theta energy: -115.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1353.394446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.394446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.394446 (E_RNA) where: Base-Base interactions energy: -909.430 where: short stacking energy: -397.816 Base-Backbone interact. energy: -3.117 local terms energy: -440.847742 where: bonds (distance) C4'-P energy: -83.820 bonds (distance) P-C4' energy: -86.167 flat angles C4'-P-C4' energy: -101.290 flat angles P-C4'-P energy: -57.226 tors. eta vs tors. theta energy: -112.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1182.425295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.425295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.425295 (E_RNA) where: Base-Base interactions energy: -759.930 where: short stacking energy: -328.643 Base-Backbone interact. energy: -0.915 local terms energy: -421.580798 where: bonds (distance) C4'-P energy: -96.394 bonds (distance) P-C4' energy: -92.127 flat angles C4'-P-C4' energy: -88.795 flat angles P-C4'-P energy: -52.736 tors. eta vs tors. theta energy: -91.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1146.052752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.052752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.052752 (E_RNA) where: Base-Base interactions energy: -769.032 where: short stacking energy: -333.497 Base-Backbone interact. energy: -1.612 local terms energy: -375.408728 where: bonds (distance) C4'-P energy: -62.258 bonds (distance) P-C4' energy: -75.942 flat angles C4'-P-C4' energy: -82.242 flat angles P-C4'-P energy: -63.102 tors. eta vs tors. theta energy: -91.866 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: 9 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -789.585666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.585666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.585666 (E_RNA) where: Base-Base interactions energy: -473.807 where: short stacking energy: -206.122 Base-Backbone interact. energy: -0.888 local terms energy: -314.890854 where: bonds (distance) C4'-P energy: -85.872 bonds (distance) P-C4' energy: -88.256 flat angles C4'-P-C4' energy: -70.252 flat angles P-C4'-P energy: -38.144 tors. eta vs tors. theta energy: -32.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -609.925093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.925093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.925093 (E_RNA) where: Base-Base interactions energy: -335.977 where: short stacking energy: -199.124 Base-Backbone interact. energy: 5.044 local terms energy: -278.992350 where: bonds (distance) C4'-P energy: -80.422 bonds (distance) P-C4' energy: -73.441 flat angles C4'-P-C4' energy: -67.934 flat angles P-C4'-P energy: -39.573 tors. eta vs tors. theta energy: -17.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -578.262822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.262822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.262822 (E_RNA) where: Base-Base interactions energy: -319.843 where: short stacking energy: -189.582 Base-Backbone interact. energy: -1.083 local terms energy: -257.336245 where: bonds (distance) C4'-P energy: -73.947 bonds (distance) P-C4' energy: -67.279 flat angles C4'-P-C4' energy: -54.078 flat angles P-C4'-P energy: -47.007 tors. eta vs tors. theta energy: -15.025 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: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -352.078093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.078093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.078093 (E_RNA) where: Base-Base interactions energy: -128.640 where: short stacking energy: -99.585 Base-Backbone interact. energy: 1.405 local terms energy: -224.843102 where: bonds (distance) C4'-P energy: -61.141 bonds (distance) P-C4' energy: -85.303 flat angles C4'-P-C4' energy: -61.494 flat angles P-C4'-P energy: -34.471 tors. eta vs tors. theta energy: 17.567 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: 1, replica: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1557.880281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.880281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.880281 (E_RNA) where: Base-Base interactions energy: -1060.287 where: short stacking energy: -457.335 Base-Backbone interact. energy: 1.763 local terms energy: -499.355703 where: bonds (distance) C4'-P energy: -93.019 bonds (distance) P-C4' energy: -93.058 flat angles C4'-P-C4' energy: -108.480 flat angles P-C4'-P energy: -65.694 tors. eta vs tors. theta energy: -139.105 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: 2, replica: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1480.239995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.239995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.239995 (E_RNA) where: Base-Base interactions energy: -1019.793 where: short stacking energy: -424.899 Base-Backbone interact. energy: -3.082 local terms energy: -457.365190 where: bonds (distance) C4'-P energy: -78.979 bonds (distance) P-C4' energy: -90.132 flat angles C4'-P-C4' energy: -99.643 flat angles P-C4'-P energy: -66.088 tors. eta vs tors. theta energy: -122.523 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: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1441.376291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.376291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.376291 (E_RNA) where: Base-Base interactions energy: -990.921 where: short stacking energy: -407.134 Base-Backbone interact. energy: 0.431 local terms energy: -450.885819 where: bonds (distance) C4'-P energy: -88.106 bonds (distance) P-C4' energy: -76.406 flat angles C4'-P-C4' energy: -97.207 flat angles P-C4'-P energy: -69.627 tors. eta vs tors. theta energy: -119.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1303.539200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.539200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.539200 (E_RNA) where: Base-Base interactions energy: -884.824 where: short stacking energy: -367.883 Base-Backbone interact. energy: 5.850 local terms energy: -424.565401 where: bonds (distance) C4'-P energy: -83.990 bonds (distance) P-C4' energy: -90.869 flat angles C4'-P-C4' energy: -93.273 flat angles P-C4'-P energy: -53.812 tors. eta vs tors. theta energy: -102.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1173.303846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.303846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.303846 (E_RNA) where: Base-Base interactions energy: -774.350 where: short stacking energy: -342.757 Base-Backbone interact. energy: -2.130 local terms energy: -396.823823 where: bonds (distance) C4'-P energy: -78.285 bonds (distance) P-C4' energy: -77.226 flat angles C4'-P-C4' energy: -87.893 flat angles P-C4'-P energy: -58.663 tors. eta vs tors. theta energy: -94.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1111.540822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.540822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.540822 (E_RNA) where: Base-Base interactions energy: -733.132 where: short stacking energy: -314.999 Base-Backbone interact. energy: -2.411 local terms energy: -375.997428 where: bonds (distance) C4'-P energy: -88.638 bonds (distance) P-C4' energy: -68.779 flat angles C4'-P-C4' energy: -85.463 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: -78.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -798.416901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.416901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.416901 (E_RNA) where: Base-Base interactions energy: -444.762 where: short stacking energy: -198.704 Base-Backbone interact. energy: 4.467 local terms energy: -358.121649 where: bonds (distance) C4'-P energy: -80.162 bonds (distance) P-C4' energy: -94.823 flat angles C4'-P-C4' energy: -92.382 flat angles P-C4'-P energy: -49.024 tors. eta vs tors. theta energy: -41.731 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: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -601.602298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.602298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.602298 (E_RNA) where: Base-Base interactions energy: -316.405 where: short stacking energy: -142.304 Base-Backbone interact. energy: 3.769 local terms energy: -288.966391 where: bonds (distance) C4'-P energy: -79.160 bonds (distance) P-C4' energy: -76.156 flat angles C4'-P-C4' energy: -71.802 flat angles P-C4'-P energy: -54.417 tors. eta vs tors. theta energy: -7.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -534.193966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.193966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.193966 (E_RNA) where: Base-Base interactions energy: -266.028 where: short stacking energy: -136.511 Base-Backbone interact. energy: 0.505 local terms energy: -268.670460 where: bonds (distance) C4'-P energy: -71.302 bonds (distance) P-C4' energy: -85.109 flat angles C4'-P-C4' energy: -65.066 flat angles P-C4'-P energy: -45.027 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -414.985167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.985167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.985167 (E_RNA) where: Base-Base interactions energy: -184.105 where: short stacking energy: -121.742 Base-Backbone interact. energy: 0.737 local terms energy: -231.617572 where: bonds (distance) C4'-P energy: -68.676 bonds (distance) P-C4' energy: -72.625 flat angles C4'-P-C4' energy: -59.790 flat angles P-C4'-P energy: -43.585 tors. eta vs tors. theta energy: 13.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1542.075857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.075857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.075857 (E_RNA) where: Base-Base interactions energy: -1067.037 where: short stacking energy: -441.011 Base-Backbone interact. energy: -4.035 local terms energy: -471.003938 where: bonds (distance) C4'-P energy: -77.924 bonds (distance) P-C4' energy: -83.540 flat angles C4'-P-C4' energy: -105.924 flat angles P-C4'-P energy: -65.076 tors. eta vs tors. theta energy: -138.540 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: 2, replica: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1480.326745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.326745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.326745 (E_RNA) where: Base-Base interactions energy: -1017.929 where: short stacking energy: -417.545 Base-Backbone interact. energy: -0.721 local terms energy: -461.676000 where: bonds (distance) C4'-P energy: -78.146 bonds (distance) P-C4' energy: -97.806 flat angles C4'-P-C4' energy: -97.627 flat angles P-C4'-P energy: -70.545 tors. eta vs tors. theta energy: -117.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1424.030241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.030241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.030241 (E_RNA) where: Base-Base interactions energy: -964.939 where: short stacking energy: -415.255 Base-Backbone interact. energy: -1.855 local terms energy: -457.236254 where: bonds (distance) C4'-P energy: -89.358 bonds (distance) P-C4' energy: -79.316 flat angles C4'-P-C4' energy: -88.392 flat angles P-C4'-P energy: -67.147 tors. eta vs tors. theta energy: -133.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1290.427803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.427803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.427803 (E_RNA) where: Base-Base interactions energy: -878.569 where: short stacking energy: -380.701 Base-Backbone interact. energy: -2.362 local terms energy: -409.497532 where: bonds (distance) C4'-P energy: -81.134 bonds (distance) P-C4' energy: -69.691 flat angles C4'-P-C4' energy: -91.151 flat angles P-C4'-P energy: -65.360 tors. eta vs tors. theta energy: -102.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1168.472569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.472569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.472569 (E_RNA) where: Base-Base interactions energy: -766.094 where: short stacking energy: -333.463 Base-Backbone interact. energy: -0.597 local terms energy: -401.782003 where: bonds (distance) C4'-P energy: -80.472 bonds (distance) P-C4' energy: -91.057 flat angles C4'-P-C4' energy: -81.130 flat angles P-C4'-P energy: -62.751 tors. eta vs tors. theta energy: -86.372 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: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1087.492218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.492218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.492218 (E_RNA) where: Base-Base interactions energy: -704.892 where: short stacking energy: -299.235 Base-Backbone interact. energy: -1.088 local terms energy: -381.512373 where: bonds (distance) C4'-P energy: -89.739 bonds (distance) P-C4' energy: -74.962 flat angles C4'-P-C4' energy: -88.530 flat angles P-C4'-P energy: -56.662 tors. eta vs tors. theta energy: -71.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -841.706936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.706936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.706936 (E_RNA) where: Base-Base interactions energy: -518.035 where: short stacking energy: -239.837 Base-Backbone interact. energy: 0.346 local terms energy: -324.017274 where: bonds (distance) C4'-P energy: -68.109 bonds (distance) P-C4' energy: -86.345 flat angles C4'-P-C4' energy: -77.773 flat angles P-C4'-P energy: -44.459 tors. eta vs tors. theta energy: -47.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -615.540222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.540222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.540222 (E_RNA) where: Base-Base interactions energy: -341.295 where: short stacking energy: -172.048 Base-Backbone interact. energy: 2.812 local terms energy: -277.057421 where: bonds (distance) C4'-P energy: -80.782 bonds (distance) P-C4' energy: -90.106 flat angles C4'-P-C4' energy: -50.043 flat angles P-C4'-P energy: -47.806 tors. eta vs tors. theta energy: -8.321 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: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -551.476466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.476466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.476466 (E_RNA) where: Base-Base interactions energy: -263.814 where: short stacking energy: -164.682 Base-Backbone interact. energy: 0.085 local terms energy: -287.747433 where: bonds (distance) C4'-P energy: -70.758 bonds (distance) P-C4' energy: -73.832 flat angles C4'-P-C4' energy: -67.835 flat angles P-C4'-P energy: -55.041 tors. eta vs tors. theta energy: -20.282 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: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -427.919415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.919415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.919415 (E_RNA) where: Base-Base interactions energy: -184.591 where: short stacking energy: -126.516 Base-Backbone interact. energy: -0.234 local terms energy: -243.094353 where: bonds (distance) C4'-P energy: -82.481 bonds (distance) P-C4' energy: -72.772 flat angles C4'-P-C4' energy: -63.419 flat angles P-C4'-P energy: -26.258 tors. eta vs tors. theta energy: 1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1539.410186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.410186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.410186 (E_RNA) where: Base-Base interactions energy: -1050.776 where: short stacking energy: -435.994 Base-Backbone interact. energy: -1.946 local terms energy: -486.688341 where: bonds (distance) C4'-P energy: -96.508 bonds (distance) P-C4' energy: -90.917 flat angles C4'-P-C4' energy: -103.461 flat angles P-C4'-P energy: -73.723 tors. eta vs tors. theta energy: -122.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1507.522673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.522673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.522673 (E_RNA) where: Base-Base interactions energy: -1034.347 where: short stacking energy: -435.355 Base-Backbone interact. energy: -1.983 local terms energy: -471.192890 where: bonds (distance) C4'-P energy: -86.404 bonds (distance) P-C4' energy: -97.383 flat angles C4'-P-C4' energy: -96.626 flat angles P-C4'-P energy: -60.080 tors. eta vs tors. theta energy: -130.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1417.034207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.034207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.034207 (E_RNA) where: Base-Base interactions energy: -966.875 where: short stacking energy: -395.294 Base-Backbone interact. energy: -1.501 local terms energy: -448.658157 where: bonds (distance) C4'-P energy: -89.541 bonds (distance) P-C4' energy: -91.481 flat angles C4'-P-C4' energy: -84.434 flat angles P-C4'-P energy: -66.816 tors. eta vs tors. theta energy: -116.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1293.540872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.540872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.540872 (E_RNA) where: Base-Base interactions energy: -857.688 where: short stacking energy: -378.736 Base-Backbone interact. energy: 2.835 local terms energy: -438.688425 where: bonds (distance) C4'-P energy: -77.710 bonds (distance) P-C4' energy: -95.084 flat angles C4'-P-C4' energy: -95.557 flat angles P-C4'-P energy: -59.178 tors. eta vs tors. theta energy: -111.160 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: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1247.734309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.734309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.734309 (E_RNA) where: Base-Base interactions energy: -836.794 where: short stacking energy: -356.997 Base-Backbone interact. energy: -1.387 local terms energy: -409.553190 where: bonds (distance) C4'-P energy: -85.704 bonds (distance) P-C4' energy: -68.697 flat angles C4'-P-C4' energy: -91.953 flat angles P-C4'-P energy: -55.396 tors. eta vs tors. theta energy: -107.803 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: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1116.349531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.349531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.349531 (E_RNA) where: Base-Base interactions energy: -726.693 where: short stacking energy: -297.204 Base-Backbone interact. energy: -0.330 local terms energy: -389.325864 where: bonds (distance) C4'-P energy: -88.053 bonds (distance) P-C4' energy: -78.683 flat angles C4'-P-C4' energy: -75.311 flat angles P-C4'-P energy: -64.965 tors. eta vs tors. theta energy: -82.314 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: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -886.027477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.027477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.027477 (E_RNA) where: Base-Base interactions energy: -555.995 where: short stacking energy: -264.415 Base-Backbone interact. energy: 1.608 local terms energy: -331.640387 where: bonds (distance) C4'-P energy: -67.524 bonds (distance) P-C4' energy: -76.791 flat angles C4'-P-C4' energy: -81.852 flat angles P-C4'-P energy: -47.013 tors. eta vs tors. theta energy: -58.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -574.729028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.729028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.729028 (E_RNA) where: Base-Base interactions energy: -299.517 where: short stacking energy: -151.142 Base-Backbone interact. energy: -1.400 local terms energy: -273.811698 where: bonds (distance) C4'-P energy: -81.542 bonds (distance) P-C4' energy: -86.847 flat angles C4'-P-C4' energy: -66.912 flat angles P-C4'-P energy: -26.667 tors. eta vs tors. theta energy: -11.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -510.710965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.710965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.710965 (E_RNA) where: Base-Base interactions energy: -222.714 where: short stacking energy: -118.624 Base-Backbone interact. energy: 0.674 local terms energy: -288.671158 where: bonds (distance) C4'-P energy: -84.841 bonds (distance) P-C4' energy: -87.437 flat angles C4'-P-C4' energy: -77.321 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: 12.383 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: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -452.583075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.583075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.583075 (E_RNA) where: Base-Base interactions energy: -201.229 where: short stacking energy: -102.756 Base-Backbone interact. energy: 4.749 local terms energy: -256.102793 where: bonds (distance) C4'-P energy: -79.809 bonds (distance) P-C4' energy: -70.709 flat angles C4'-P-C4' energy: -59.406 flat angles P-C4'-P energy: -52.775 tors. eta vs tors. theta energy: 6.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1551.704226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.704226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.704226 (E_RNA) where: Base-Base interactions energy: -1070.339 where: short stacking energy: -465.728 Base-Backbone interact. energy: 0.490 local terms energy: -481.854844 where: bonds (distance) C4'-P energy: -94.460 bonds (distance) P-C4' energy: -92.472 flat angles C4'-P-C4' energy: -99.389 flat angles P-C4'-P energy: -59.158 tors. eta vs tors. theta energy: -136.375 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: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1530.273977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.273977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.273977 (E_RNA) where: Base-Base interactions energy: -1044.623 where: short stacking energy: -438.624 Base-Backbone interact. energy: -2.107 local terms energy: -483.544843 where: bonds (distance) C4'-P energy: -86.438 bonds (distance) P-C4' energy: -94.276 flat angles C4'-P-C4' energy: -102.589 flat angles P-C4'-P energy: -66.298 tors. eta vs tors. theta energy: -133.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1460.983527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.983527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.983527 (E_RNA) where: Base-Base interactions energy: -976.346 where: short stacking energy: -396.782 Base-Backbone interact. energy: -2.241 local terms energy: -482.395736 where: bonds (distance) C4'-P energy: -82.144 bonds (distance) P-C4' energy: -103.289 flat angles C4'-P-C4' energy: -100.848 flat angles P-C4'-P energy: -70.720 tors. eta vs tors. theta energy: -125.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1258.690532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.690532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.690532 (E_RNA) where: Base-Base interactions energy: -857.756 where: short stacking energy: -360.771 Base-Backbone interact. energy: 2.533 local terms energy: -403.467824 where: bonds (distance) C4'-P energy: -78.575 bonds (distance) P-C4' energy: -90.888 flat angles C4'-P-C4' energy: -89.017 flat angles P-C4'-P energy: -45.100 tors. eta vs tors. theta energy: -99.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1210.419319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.419319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.419319 (E_RNA) where: Base-Base interactions energy: -794.152 where: short stacking energy: -350.786 Base-Backbone interact. energy: -1.312 local terms energy: -414.954687 where: bonds (distance) C4'-P energy: -73.472 bonds (distance) P-C4' energy: -84.416 flat angles C4'-P-C4' energy: -97.432 flat angles P-C4'-P energy: -72.638 tors. eta vs tors. theta energy: -86.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1103.071066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.071066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.071066 (E_RNA) where: Base-Base interactions energy: -689.573 where: short stacking energy: -306.228 Base-Backbone interact. energy: -1.022 local terms energy: -412.475704 where: bonds (distance) C4'-P energy: -96.093 bonds (distance) P-C4' energy: -79.305 flat angles C4'-P-C4' energy: -96.934 flat angles P-C4'-P energy: -55.119 tors. eta vs tors. theta energy: -85.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -881.137089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.137089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.137089 (E_RNA) where: Base-Base interactions energy: -530.730 where: short stacking energy: -230.780 Base-Backbone interact. energy: -2.262 local terms energy: -348.144972 where: bonds (distance) C4'-P energy: -73.762 bonds (distance) P-C4' energy: -99.007 flat angles C4'-P-C4' energy: -90.426 flat angles P-C4'-P energy: -44.711 tors. eta vs tors. theta energy: -40.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -604.444326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.444326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.444326 (E_RNA) where: Base-Base interactions energy: -318.809 where: short stacking energy: -176.567 Base-Backbone interact. energy: -2.854 local terms energy: -282.781274 where: bonds (distance) C4'-P energy: -67.036 bonds (distance) P-C4' energy: -84.344 flat angles C4'-P-C4' energy: -73.954 flat angles P-C4'-P energy: -40.075 tors. eta vs tors. theta energy: -17.372 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: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -502.853042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.853042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.853042 (E_RNA) where: Base-Base interactions energy: -236.364 where: short stacking energy: -126.870 Base-Backbone interact. energy: 2.263 local terms energy: -268.751440 where: bonds (distance) C4'-P energy: -88.044 bonds (distance) P-C4' energy: -97.277 flat angles C4'-P-C4' energy: -54.770 flat angles P-C4'-P energy: -35.374 tors. eta vs tors. theta energy: 6.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -490.404238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.404238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.404238 (E_RNA) where: Base-Base interactions energy: -247.117 where: short stacking energy: -143.699 Base-Backbone interact. energy: 0.434 local terms energy: -243.720765 where: bonds (distance) C4'-P energy: -68.504 bonds (distance) P-C4' energy: -83.180 flat angles C4'-P-C4' energy: -55.188 flat angles P-C4'-P energy: -33.632 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1556.392958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.392958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.392958 (E_RNA) where: Base-Base interactions energy: -1065.513 where: short stacking energy: -444.307 Base-Backbone interact. energy: 1.563 local terms energy: -492.443044 where: bonds (distance) C4'-P energy: -94.568 bonds (distance) P-C4' energy: -88.896 flat angles C4'-P-C4' energy: -94.568 flat angles P-C4'-P energy: -78.242 tors. eta vs tors. theta energy: -136.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1509.756817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.756817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.756817 (E_RNA) where: Base-Base interactions energy: -1048.112 where: short stacking energy: -430.894 Base-Backbone interact. energy: -2.269 local terms energy: -459.375788 where: bonds (distance) C4'-P energy: -79.461 bonds (distance) P-C4' energy: -87.204 flat angles C4'-P-C4' energy: -94.562 flat angles P-C4'-P energy: -64.147 tors. eta vs tors. theta energy: -134.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1429.294705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.294705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.294705 (E_RNA) where: Base-Base interactions energy: -986.727 where: short stacking energy: -415.512 Base-Backbone interact. energy: -0.501 local terms energy: -442.066575 where: bonds (distance) C4'-P energy: -83.034 bonds (distance) P-C4' energy: -80.992 flat angles C4'-P-C4' energy: -103.694 flat angles P-C4'-P energy: -59.480 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: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1276.164929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.164929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.164929 (E_RNA) where: Base-Base interactions energy: -861.307 where: short stacking energy: -367.986 Base-Backbone interact. energy: -3.575 local terms energy: -411.283317 where: bonds (distance) C4'-P energy: -86.455 bonds (distance) P-C4' energy: -83.472 flat angles C4'-P-C4' energy: -86.957 flat angles P-C4'-P energy: -58.545 tors. eta vs tors. theta energy: -95.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1228.955249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.955249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.955249 (E_RNA) where: Base-Base interactions energy: -822.268 where: short stacking energy: -353.806 Base-Backbone interact. energy: -1.908 local terms energy: -404.778914 where: bonds (distance) C4'-P energy: -66.290 bonds (distance) P-C4' energy: -94.866 flat angles C4'-P-C4' energy: -89.984 flat angles P-C4'-P energy: -61.725 tors. eta vs tors. theta energy: -91.915 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: 6, replica: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1104.987729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.987729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.987729 (E_RNA) where: Base-Base interactions energy: -725.683 where: short stacking energy: -320.545 Base-Backbone interact. energy: -2.872 local terms energy: -376.432890 where: bonds (distance) C4'-P energy: -81.313 bonds (distance) P-C4' energy: -90.075 flat angles C4'-P-C4' energy: -94.252 flat angles P-C4'-P energy: -38.094 tors. eta vs tors. theta energy: -72.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -889.672484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.672484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.672484 (E_RNA) where: Base-Base interactions energy: -576.486 where: short stacking energy: -243.427 Base-Backbone interact. energy: 2.461 local terms energy: -315.647698 where: bonds (distance) C4'-P energy: -59.522 bonds (distance) P-C4' energy: -80.567 flat angles C4'-P-C4' energy: -80.895 flat angles P-C4'-P energy: -48.872 tors. eta vs tors. theta energy: -45.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -563.540093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.540093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.540093 (E_RNA) where: Base-Base interactions energy: -282.032 where: short stacking energy: -158.176 Base-Backbone interact. energy: 5.385 local terms energy: -286.893589 where: bonds (distance) C4'-P energy: -82.368 bonds (distance) P-C4' energy: -73.360 flat angles C4'-P-C4' energy: -73.602 flat angles P-C4'-P energy: -54.985 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -567.108717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.108717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.108717 (E_RNA) where: Base-Base interactions energy: -290.714 where: short stacking energy: -174.315 Base-Backbone interact. energy: 0.892 local terms energy: -277.286542 where: bonds (distance) C4'-P energy: -67.818 bonds (distance) P-C4' energy: -82.053 flat angles C4'-P-C4' energy: -76.990 flat angles P-C4'-P energy: -32.062 tors. eta vs tors. theta energy: -18.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -523.425283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.425283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.425283 (E_RNA) where: Base-Base interactions energy: -278.283 where: short stacking energy: -154.389 Base-Backbone interact. energy: -0.213 local terms energy: -244.929806 where: bonds (distance) C4'-P energy: -57.259 bonds (distance) P-C4' energy: -64.897 flat angles C4'-P-C4' energy: -69.767 flat angles P-C4'-P energy: -40.862 tors. eta vs tors. theta energy: -12.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1565.318783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.318783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.318783 (E_RNA) where: Base-Base interactions energy: -1060.884 where: short stacking energy: -448.645 Base-Backbone interact. energy: -0.050 local terms energy: -504.384237 where: bonds (distance) C4'-P energy: -83.825 bonds (distance) P-C4' energy: -95.635 flat angles C4'-P-C4' energy: -118.113 flat angles P-C4'-P energy: -74.338 tors. eta vs tors. theta energy: -132.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1528.372841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.372841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.372841 (E_RNA) where: Base-Base interactions energy: -1042.240 where: short stacking energy: -450.281 Base-Backbone interact. energy: -2.619 local terms energy: -483.514398 where: bonds (distance) C4'-P energy: -87.874 bonds (distance) P-C4' energy: -94.738 flat angles C4'-P-C4' energy: -98.694 flat angles P-C4'-P energy: -67.562 tors. eta vs tors. theta energy: -134.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1421.488620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.488620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.488620 (E_RNA) where: Base-Base interactions energy: -964.563 where: short stacking energy: -399.536 Base-Backbone interact. energy: -2.159 local terms energy: -454.766483 where: bonds (distance) C4'-P energy: -81.051 bonds (distance) P-C4' energy: -92.042 flat angles C4'-P-C4' energy: -94.157 flat angles P-C4'-P energy: -68.373 tors. eta vs tors. theta energy: -119.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1297.925539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.925539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.925539 (E_RNA) where: Base-Base interactions energy: -853.896 where: short stacking energy: -386.857 Base-Backbone interact. energy: -1.003 local terms energy: -443.026538 where: bonds (distance) C4'-P energy: -94.628 bonds (distance) P-C4' energy: -88.185 flat angles C4'-P-C4' energy: -96.734 flat angles P-C4'-P energy: -53.445 tors. eta vs tors. theta energy: -110.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1223.395715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.395715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.395715 (E_RNA) where: Base-Base interactions energy: -803.909 where: short stacking energy: -359.049 Base-Backbone interact. energy: -1.646 local terms energy: -417.840878 where: bonds (distance) C4'-P energy: -94.813 bonds (distance) P-C4' energy: -74.860 flat angles C4'-P-C4' energy: -94.068 flat angles P-C4'-P energy: -54.921 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: 6, replica: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1069.468377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.468377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.468377 (E_RNA) where: Base-Base interactions energy: -684.300 where: short stacking energy: -315.655 Base-Backbone interact. energy: 2.204 local terms energy: -387.372036 where: bonds (distance) C4'-P energy: -65.492 bonds (distance) P-C4' energy: -83.475 flat angles C4'-P-C4' energy: -90.624 flat angles P-C4'-P energy: -59.703 tors. eta vs tors. theta energy: -88.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -820.955637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.955637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.955637 (E_RNA) where: Base-Base interactions energy: -517.057 where: short stacking energy: -254.371 Base-Backbone interact. energy: 3.251 local terms energy: -307.149599 where: bonds (distance) C4'-P energy: -67.590 bonds (distance) P-C4' energy: -82.930 flat angles C4'-P-C4' energy: -80.388 flat angles P-C4'-P energy: -46.375 tors. eta vs tors. theta energy: -29.867 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: 138 Temperature: 1.250000 Total energy: -598.162326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.162326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.162326 (E_RNA) where: Base-Base interactions energy: -286.182 where: short stacking energy: -172.959 Base-Backbone interact. energy: -1.533 local terms energy: -310.447481 where: bonds (distance) C4'-P energy: -76.009 bonds (distance) P-C4' energy: -83.252 flat angles C4'-P-C4' energy: -82.035 flat angles P-C4'-P energy: -51.178 tors. eta vs tors. theta energy: -17.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -528.331688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.331688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.331688 (E_RNA) where: Base-Base interactions energy: -256.624 where: short stacking energy: -150.722 Base-Backbone interact. energy: -0.327 local terms energy: -271.380456 where: bonds (distance) C4'-P energy: -64.278 bonds (distance) P-C4' energy: -68.490 flat angles C4'-P-C4' energy: -77.693 flat angles P-C4'-P energy: -56.286 tors. eta vs tors. theta energy: -4.633 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: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -532.020273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.020273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.020273 (E_RNA) where: Base-Base interactions energy: -298.074 where: short stacking energy: -165.318 Base-Backbone interact. energy: 0.820 local terms energy: -234.765714 where: bonds (distance) C4'-P energy: -69.990 bonds (distance) P-C4' energy: -62.803 flat angles C4'-P-C4' energy: -54.477 flat angles P-C4'-P energy: -35.454 tors. eta vs tors. theta energy: -12.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1550.901917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.901917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.901917 (E_RNA) where: Base-Base interactions energy: -1067.062 where: short stacking energy: -426.947 Base-Backbone interact. energy: -1.281 local terms energy: -482.559476 where: bonds (distance) C4'-P energy: -89.355 bonds (distance) P-C4' energy: -95.657 flat angles C4'-P-C4' energy: -104.925 flat angles P-C4'-P energy: -68.792 tors. eta vs tors. theta energy: -123.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1531.994850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.994850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.994850 (E_RNA) where: Base-Base interactions energy: -1045.083 where: short stacking energy: -412.511 Base-Backbone interact. energy: -2.810 local terms energy: -484.102116 where: bonds (distance) C4'-P energy: -81.720 bonds (distance) P-C4' energy: -97.454 flat angles C4'-P-C4' energy: -94.571 flat angles P-C4'-P energy: -76.094 tors. eta vs tors. theta energy: -134.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1428.191809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.191809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.191809 (E_RNA) where: Base-Base interactions energy: -987.608 where: short stacking energy: -411.551 Base-Backbone interact. energy: -2.486 local terms energy: -438.097747 where: bonds (distance) C4'-P energy: -75.032 bonds (distance) P-C4' energy: -87.153 flat angles C4'-P-C4' energy: -91.799 flat angles P-C4'-P energy: -61.325 tors. eta vs tors. theta energy: -122.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1316.193820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.193820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.193820 (E_RNA) where: Base-Base interactions energy: -874.177 where: short stacking energy: -395.231 Base-Backbone interact. energy: -2.272 local terms energy: -439.745101 where: bonds (distance) C4'-P energy: -76.530 bonds (distance) P-C4' energy: -96.834 flat angles C4'-P-C4' energy: -91.109 flat angles P-C4'-P energy: -55.910 tors. eta vs tors. theta energy: -119.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1214.080427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.080427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.080427 (E_RNA) where: Base-Base interactions energy: -812.623 where: short stacking energy: -354.728 Base-Backbone interact. energy: -3.963 local terms energy: -397.494391 where: bonds (distance) C4'-P energy: -76.183 bonds (distance) P-C4' energy: -85.622 flat angles C4'-P-C4' energy: -93.449 flat angles P-C4'-P energy: -37.057 tors. eta vs tors. theta energy: -105.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1094.558465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.558465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.558465 (E_RNA) where: Base-Base interactions energy: -718.380 where: short stacking energy: -311.441 Base-Backbone interact. energy: -1.197 local terms energy: -374.981459 where: bonds (distance) C4'-P energy: -91.855 bonds (distance) P-C4' energy: -71.364 flat angles C4'-P-C4' energy: -79.046 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -83.011 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: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -787.715700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.715700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.715700 (E_RNA) where: Base-Base interactions energy: -475.202 where: short stacking energy: -225.137 Base-Backbone interact. energy: 2.328 local terms energy: -314.841173 where: bonds (distance) C4'-P energy: -69.592 bonds (distance) P-C4' energy: -83.601 flat angles C4'-P-C4' energy: -94.274 flat angles P-C4'-P energy: -39.673 tors. eta vs tors. theta energy: -27.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -587.669670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.669670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.669670 (E_RNA) where: Base-Base interactions energy: -282.447 where: short stacking energy: -168.735 Base-Backbone interact. energy: -1.746 local terms energy: -303.476544 where: bonds (distance) C4'-P energy: -82.211 bonds (distance) P-C4' energy: -82.399 flat angles C4'-P-C4' energy: -73.229 flat angles P-C4'-P energy: -47.599 tors. eta vs tors. theta energy: -18.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -555.655041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.655041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.655041 (E_RNA) where: Base-Base interactions energy: -299.378 where: short stacking energy: -164.594 Base-Backbone interact. energy: 0.745 local terms energy: -257.021940 where: bonds (distance) C4'-P energy: -64.088 bonds (distance) P-C4' energy: -80.129 flat angles C4'-P-C4' energy: -61.301 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: -3.478 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: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -498.887326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.887326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.887326 (E_RNA) where: Base-Base interactions energy: -252.144 where: short stacking energy: -142.389 Base-Backbone interact. energy: 1.659 local terms energy: -248.401750 where: bonds (distance) C4'-P energy: -68.590 bonds (distance) P-C4' energy: -68.545 flat angles C4'-P-C4' energy: -68.856 flat angles P-C4'-P energy: -29.087 tors. eta vs tors. theta energy: -13.324 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: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1561.975574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.975574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.975574 (E_RNA) where: Base-Base interactions energy: -1078.049 where: short stacking energy: -428.735 Base-Backbone interact. energy: -0.622 local terms energy: -483.304112 where: bonds (distance) C4'-P energy: -85.055 bonds (distance) P-C4' energy: -90.414 flat angles C4'-P-C4' energy: -106.401 flat angles P-C4'-P energy: -68.374 tors. eta vs tors. theta energy: -133.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1532.885025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.885025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.885025 (E_RNA) where: Base-Base interactions energy: -1049.767 where: short stacking energy: -453.129 Base-Backbone interact. energy: -2.068 local terms energy: -481.049798 where: bonds (distance) C4'-P energy: -87.982 bonds (distance) P-C4' energy: -86.587 flat angles C4'-P-C4' energy: -105.149 flat angles P-C4'-P energy: -67.667 tors. eta vs tors. theta energy: -133.664 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: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1482.298425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.298425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.298425 (E_RNA) where: Base-Base interactions energy: -1014.801 where: short stacking energy: -388.958 Base-Backbone interact. energy: -2.142 local terms energy: -465.355733 where: bonds (distance) C4'-P energy: -90.338 bonds (distance) P-C4' energy: -89.177 flat angles C4'-P-C4' energy: -94.281 flat angles P-C4'-P energy: -72.553 tors. eta vs tors. theta energy: -119.007 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: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1300.968048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.968048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.968048 (E_RNA) where: Base-Base interactions energy: -889.786 where: short stacking energy: -392.193 Base-Backbone interact. energy: -3.431 local terms energy: -407.750437 where: bonds (distance) C4'-P energy: -78.784 bonds (distance) P-C4' energy: -79.254 flat angles C4'-P-C4' energy: -92.630 flat angles P-C4'-P energy: -48.000 tors. eta vs tors. theta energy: -109.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1251.703032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.703032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.703032 (E_RNA) where: Base-Base interactions energy: -857.201 where: short stacking energy: -360.116 Base-Backbone interact. energy: -0.797 local terms energy: -393.704883 where: bonds (distance) C4'-P energy: -85.388 bonds (distance) P-C4' energy: -82.501 flat angles C4'-P-C4' energy: -74.696 flat angles P-C4'-P energy: -49.619 tors. eta vs tors. theta energy: -101.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1028.678585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.678585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.678585 (E_RNA) where: Base-Base interactions energy: -662.643 where: short stacking energy: -285.697 Base-Backbone interact. energy: -1.711 local terms energy: -364.324641 where: bonds (distance) C4'-P energy: -77.887 bonds (distance) P-C4' energy: -84.916 flat angles C4'-P-C4' energy: -83.477 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -67.473 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: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -800.752525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.752525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.752525 (E_RNA) where: Base-Base interactions energy: -496.654 where: short stacking energy: -225.815 Base-Backbone interact. energy: 1.752 local terms energy: -305.851188 where: bonds (distance) C4'-P energy: -75.762 bonds (distance) P-C4' energy: -78.613 flat angles C4'-P-C4' energy: -79.335 flat angles P-C4'-P energy: -33.824 tors. eta vs tors. theta energy: -38.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -588.021676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.021676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.021676 (E_RNA) where: Base-Base interactions energy: -286.336 where: short stacking energy: -154.794 Base-Backbone interact. energy: -2.444 local terms energy: -299.241758 where: bonds (distance) C4'-P energy: -87.665 bonds (distance) P-C4' energy: -90.663 flat angles C4'-P-C4' energy: -64.438 flat angles P-C4'-P energy: -42.359 tors. eta vs tors. theta energy: -14.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -589.995159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.995159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.995159 (E_RNA) where: Base-Base interactions energy: -300.889 where: short stacking energy: -171.353 Base-Backbone interact. energy: -2.124 local terms energy: -286.981805 where: bonds (distance) C4'-P energy: -74.694 bonds (distance) P-C4' energy: -81.465 flat angles C4'-P-C4' energy: -66.847 flat angles P-C4'-P energy: -43.356 tors. eta vs tors. theta energy: -20.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -515.182239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.182239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.182239 (E_RNA) where: Base-Base interactions energy: -249.359 where: short stacking energy: -151.391 Base-Backbone interact. energy: -3.664 local terms energy: -262.159505 where: bonds (distance) C4'-P energy: -92.344 bonds (distance) P-C4' energy: -81.530 flat angles C4'-P-C4' energy: -67.117 flat angles P-C4'-P energy: -26.168 tors. eta vs tors. theta energy: 5.000 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: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1553.386083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.386083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.386083 (E_RNA) where: Base-Base interactions energy: -1069.199 where: short stacking energy: -431.214 Base-Backbone interact. energy: -2.891 local terms energy: -481.295439 where: bonds (distance) C4'-P energy: -97.242 bonds (distance) P-C4' energy: -93.422 flat angles C4'-P-C4' energy: -91.940 flat angles P-C4'-P energy: -69.706 tors. eta vs tors. theta energy: -128.986 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: 2 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1531.380178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.380178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.380178 (E_RNA) where: Base-Base interactions energy: -1037.383 where: short stacking energy: -431.466 Base-Backbone interact. energy: -3.451 local terms energy: -490.546786 where: bonds (distance) C4'-P energy: -88.619 bonds (distance) P-C4' energy: -94.977 flat angles C4'-P-C4' energy: -100.609 flat angles P-C4'-P energy: -69.347 tors. eta vs tors. theta energy: -136.996 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: 3, replica: 8 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1474.667359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.667359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.667359 (E_RNA) where: Base-Base interactions energy: -1014.844 where: short stacking energy: -429.419 Base-Backbone interact. energy: -1.252 local terms energy: -458.571223 where: bonds (distance) C4'-P energy: -89.002 bonds (distance) P-C4' energy: -73.603 flat angles C4'-P-C4' energy: -94.155 flat angles P-C4'-P energy: -74.216 tors. eta vs tors. theta energy: -127.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1295.217220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.217220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.217220 (E_RNA) where: Base-Base interactions energy: -853.960 where: short stacking energy: -376.730 Base-Backbone interact. energy: -1.435 local terms energy: -439.822924 where: bonds (distance) C4'-P energy: -82.179 bonds (distance) P-C4' energy: -86.252 flat angles C4'-P-C4' energy: -101.458 flat angles P-C4'-P energy: -58.721 tors. eta vs tors. theta energy: -111.214 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: 141 Temperature: 1.100000 Total energy: -1196.245081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.245081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.245081 (E_RNA) where: Base-Base interactions energy: -801.188 where: short stacking energy: -351.033 Base-Backbone interact. energy: -0.498 local terms energy: -394.559212 where: bonds (distance) C4'-P energy: -73.753 bonds (distance) P-C4' energy: -85.300 flat angles C4'-P-C4' energy: -81.369 flat angles P-C4'-P energy: -63.294 tors. eta vs tors. theta energy: -90.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1001.162620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.162620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.162620 (E_RNA) where: Base-Base interactions energy: -639.350 where: short stacking energy: -279.650 Base-Backbone interact. energy: -1.924 local terms energy: -359.888529 where: bonds (distance) C4'-P energy: -75.194 bonds (distance) P-C4' energy: -77.123 flat angles C4'-P-C4' energy: -89.677 flat angles P-C4'-P energy: -55.107 tors. eta vs tors. theta energy: -62.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -785.444130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.444130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.444130 (E_RNA) where: Base-Base interactions energy: -478.484 where: short stacking energy: -210.181 Base-Backbone interact. energy: 2.304 local terms energy: -309.264719 where: bonds (distance) C4'-P energy: -84.941 bonds (distance) P-C4' energy: -83.414 flat angles C4'-P-C4' energy: -69.165 flat angles P-C4'-P energy: -52.080 tors. eta vs tors. theta energy: -19.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -563.808768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.808768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.808768 (E_RNA) where: Base-Base interactions energy: -294.829 where: short stacking energy: -179.518 Base-Backbone interact. energy: -1.872 local terms energy: -267.108036 where: bonds (distance) C4'-P energy: -76.337 bonds (distance) P-C4' energy: -68.713 flat angles C4'-P-C4' energy: -78.069 flat angles P-C4'-P energy: -33.492 tors. eta vs tors. theta energy: -10.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -586.929706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.929706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.929706 (E_RNA) where: Base-Base interactions energy: -312.432 where: short stacking energy: -160.887 Base-Backbone interact. energy: 4.036 local terms energy: -278.533881 where: bonds (distance) C4'-P energy: -79.385 bonds (distance) P-C4' energy: -86.430 flat angles C4'-P-C4' energy: -53.837 flat angles P-C4'-P energy: -40.959 tors. eta vs tors. theta energy: -17.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -527.077555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.077555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.077555 (E_RNA) where: Base-Base interactions energy: -274.187 where: short stacking energy: -155.188 Base-Backbone interact. energy: -0.571 local terms energy: -252.319578 where: bonds (distance) C4'-P energy: -51.288 bonds (distance) P-C4' energy: -76.537 flat angles C4'-P-C4' energy: -85.635 flat angles P-C4'-P energy: -37.617 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1570.285864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.285864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.285864 (E_RNA) where: Base-Base interactions energy: -1061.678 where: short stacking energy: -425.440 Base-Backbone interact. energy: -3.074 local terms energy: -505.534302 where: bonds (distance) C4'-P energy: -92.691 bonds (distance) P-C4' energy: -107.552 flat angles C4'-P-C4' energy: -106.691 flat angles P-C4'-P energy: -71.849 tors. eta vs tors. theta energy: -126.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1542.755087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.755087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.755087 (E_RNA) where: Base-Base interactions energy: -1048.935 where: short stacking energy: -439.171 Base-Backbone interact. energy: -0.436 local terms energy: -493.383866 where: bonds (distance) C4'-P energy: -87.288 bonds (distance) P-C4' energy: -89.015 flat angles C4'-P-C4' energy: -105.915 flat angles P-C4'-P energy: -78.048 tors. eta vs tors. theta energy: -133.119 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: 8 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1468.611377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.611377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.611377 (E_RNA) where: Base-Base interactions energy: -1011.015 where: short stacking energy: -427.656 Base-Backbone interact. energy: -0.156 local terms energy: -457.440271 where: bonds (distance) C4'-P energy: -94.081 bonds (distance) P-C4' energy: -89.805 flat angles C4'-P-C4' energy: -105.628 flat angles P-C4'-P energy: -47.174 tors. eta vs tors. theta energy: -120.753 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: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1280.838285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.838285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.838285 (E_RNA) where: Base-Base interactions energy: -834.334 where: short stacking energy: -374.102 Base-Backbone interact. energy: 2.267 local terms energy: -448.770938 where: bonds (distance) C4'-P energy: -92.049 bonds (distance) P-C4' energy: -78.209 flat angles C4'-P-C4' energy: -97.367 flat angles P-C4'-P energy: -65.727 tors. eta vs tors. theta energy: -115.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1182.130080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.130080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.130080 (E_RNA) where: Base-Base interactions energy: -785.406 where: short stacking energy: -331.720 Base-Backbone interact. energy: -2.729 local terms energy: -393.995369 where: bonds (distance) C4'-P energy: -76.108 bonds (distance) P-C4' energy: -80.984 flat angles C4'-P-C4' energy: -78.589 flat angles P-C4'-P energy: -57.870 tors. eta vs tors. theta energy: -100.444 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: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1081.492544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.492544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.492544 (E_RNA) where: Base-Base interactions energy: -708.904 where: short stacking energy: -285.516 Base-Backbone interact. energy: -3.274 local terms energy: -369.315063 where: bonds (distance) C4'-P energy: -89.191 bonds (distance) P-C4' energy: -80.122 flat angles C4'-P-C4' energy: -87.391 flat angles P-C4'-P energy: -58.665 tors. eta vs tors. theta energy: -53.947 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: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -831.382641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.382641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.382641 (E_RNA) where: Base-Base interactions energy: -528.898 where: short stacking energy: -226.434 Base-Backbone interact. energy: -1.715 local terms energy: -300.769597 where: bonds (distance) C4'-P energy: -52.212 bonds (distance) P-C4' energy: -82.052 flat angles C4'-P-C4' energy: -82.091 flat angles P-C4'-P energy: -49.041 tors. eta vs tors. theta energy: -35.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -593.178684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.178684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.178684 (E_RNA) where: Base-Base interactions energy: -324.327 where: short stacking energy: -189.634 Base-Backbone interact. energy: -2.058 local terms energy: -266.794484 where: bonds (distance) C4'-P energy: -78.215 bonds (distance) P-C4' energy: -76.464 flat angles C4'-P-C4' energy: -64.761 flat angles P-C4'-P energy: -31.014 tors. eta vs tors. theta energy: -16.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -548.802720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.802720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.802720 (E_RNA) where: Base-Base interactions energy: -274.232 where: short stacking energy: -176.737 Base-Backbone interact. energy: 1.176 local terms energy: -275.747196 where: bonds (distance) C4'-P energy: -81.090 bonds (distance) P-C4' energy: -77.668 flat angles C4'-P-C4' energy: -54.218 flat angles P-C4'-P energy: -38.524 tors. eta vs tors. theta energy: -24.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -523.258528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.258528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.258528 (E_RNA) where: Base-Base interactions energy: -262.285 where: short stacking energy: -148.812 Base-Backbone interact. energy: 4.511 local terms energy: -265.484404 where: bonds (distance) C4'-P energy: -72.673 bonds (distance) P-C4' energy: -79.078 flat angles C4'-P-C4' energy: -62.796 flat angles P-C4'-P energy: -39.142 tors. eta vs tors. theta energy: -11.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1553.209873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.209873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.209873 (E_RNA) where: Base-Base interactions energy: -1078.335 where: short stacking energy: -449.185 Base-Backbone interact. energy: -2.048 local terms energy: -472.826932 where: bonds (distance) C4'-P energy: -86.834 bonds (distance) P-C4' energy: -88.931 flat angles C4'-P-C4' energy: -97.355 flat angles P-C4'-P energy: -61.227 tors. eta vs tors. theta energy: -138.480 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: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1539.982992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.982992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.982992 (E_RNA) where: Base-Base interactions energy: -1055.666 where: short stacking energy: -449.697 Base-Backbone interact. energy: -1.549 local terms energy: -482.768095 where: bonds (distance) C4'-P energy: -92.554 bonds (distance) P-C4' energy: -75.585 flat angles C4'-P-C4' energy: -107.975 flat angles P-C4'-P energy: -69.333 tors. eta vs tors. theta energy: -137.320 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: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1471.408891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.408891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.408891 (E_RNA) where: Base-Base interactions energy: -1006.704 where: short stacking energy: -409.286 Base-Backbone interact. energy: -3.668 local terms energy: -461.037228 where: bonds (distance) C4'-P energy: -77.689 bonds (distance) P-C4' energy: -92.422 flat angles C4'-P-C4' energy: -90.346 flat angles P-C4'-P energy: -71.840 tors. eta vs tors. theta energy: -128.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1289.625049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.625049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.625049 (E_RNA) where: Base-Base interactions energy: -871.337 where: short stacking energy: -367.073 Base-Backbone interact. energy: -1.185 local terms energy: -417.102821 where: bonds (distance) C4'-P energy: -78.319 bonds (distance) P-C4' energy: -82.327 flat angles C4'-P-C4' energy: -94.930 flat angles P-C4'-P energy: -53.459 tors. eta vs tors. theta energy: -108.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1146.736962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.736962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.736962 (E_RNA) where: Base-Base interactions energy: -752.060 where: short stacking energy: -346.559 Base-Backbone interact. energy: -0.914 local terms energy: -393.763131 where: bonds (distance) C4'-P energy: -80.776 bonds (distance) P-C4' energy: -80.117 flat angles C4'-P-C4' energy: -89.423 flat angles P-C4'-P energy: -50.926 tors. eta vs tors. theta energy: -92.520 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: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1085.719534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.719534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.719534 (E_RNA) where: Base-Base interactions energy: -708.502 where: short stacking energy: -291.571 Base-Backbone interact. energy: -2.889 local terms energy: -374.328150 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -85.063 flat angles C4'-P-C4' energy: -84.768 flat angles P-C4'-P energy: -50.918 tors. eta vs tors. theta energy: -69.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -781.458263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.458263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.458263 (E_RNA) where: Base-Base interactions energy: -460.144 where: short stacking energy: -221.926 Base-Backbone interact. energy: -1.419 local terms energy: -319.894750 where: bonds (distance) C4'-P energy: -72.229 bonds (distance) P-C4' energy: -73.368 flat angles C4'-P-C4' energy: -74.933 flat angles P-C4'-P energy: -54.931 tors. eta vs tors. theta energy: -44.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -583.435435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.435435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.435435 (E_RNA) where: Base-Base interactions energy: -292.034 where: short stacking energy: -163.251 Base-Backbone interact. energy: -0.554 local terms energy: -290.847671 where: bonds (distance) C4'-P energy: -76.711 bonds (distance) P-C4' energy: -83.977 flat angles C4'-P-C4' energy: -68.831 flat angles P-C4'-P energy: -34.598 tors. eta vs tors. theta energy: -26.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -546.227751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.227751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.227751 (E_RNA) where: Base-Base interactions energy: -291.168 where: short stacking energy: -159.366 Base-Backbone interact. energy: -1.165 local terms energy: -253.894781 where: bonds (distance) C4'-P energy: -76.296 bonds (distance) P-C4' energy: -66.604 flat angles C4'-P-C4' energy: -73.445 flat angles P-C4'-P energy: -30.535 tors. eta vs tors. theta energy: -7.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -512.582523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.582523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.582523 (E_RNA) where: Base-Base interactions energy: -264.800 where: short stacking energy: -152.061 Base-Backbone interact. energy: 2.949 local terms energy: -250.731448 where: bonds (distance) C4'-P energy: -81.224 bonds (distance) P-C4' energy: -69.564 flat angles C4'-P-C4' energy: -68.730 flat angles P-C4'-P energy: -29.445 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1571.980624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.980624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.980624 (E_RNA) where: Base-Base interactions energy: -1080.209 where: short stacking energy: -420.040 Base-Backbone interact. energy: -1.110 local terms energy: -490.661476 where: bonds (distance) C4'-P energy: -98.420 bonds (distance) P-C4' energy: -88.425 flat angles C4'-P-C4' energy: -104.423 flat angles P-C4'-P energy: -68.131 tors. eta vs tors. theta energy: -131.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1529.963497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.963497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.963497 (E_RNA) where: Base-Base interactions energy: -1050.629 where: short stacking energy: -438.498 Base-Backbone interact. energy: 0.534 local terms energy: -479.868180 where: bonds (distance) C4'-P energy: -82.845 bonds (distance) P-C4' energy: -97.004 flat angles C4'-P-C4' energy: -93.512 flat angles P-C4'-P energy: -71.127 tors. eta vs tors. theta energy: -135.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1447.790579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.790579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.790579 (E_RNA) where: Base-Base interactions energy: -988.079 where: short stacking energy: -417.560 Base-Backbone interact. energy: -2.246 local terms energy: -457.465287 where: bonds (distance) C4'-P energy: -88.913 bonds (distance) P-C4' energy: -89.203 flat angles C4'-P-C4' energy: -99.378 flat angles P-C4'-P energy: -58.370 tors. eta vs tors. theta energy: -121.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1282.560766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.560766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.560766 (E_RNA) where: Base-Base interactions energy: -855.081 where: short stacking energy: -387.669 Base-Backbone interact. energy: 2.928 local terms energy: -430.407726 where: bonds (distance) C4'-P energy: -88.623 bonds (distance) P-C4' energy: -84.814 flat angles C4'-P-C4' energy: -92.240 flat angles P-C4'-P energy: -62.226 tors. eta vs tors. theta energy: -102.504 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: 144 Temperature: 1.100000 Total energy: -1158.672546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.672546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.672546 (E_RNA) where: Base-Base interactions energy: -761.234 where: short stacking energy: -350.585 Base-Backbone interact. energy: -1.533 local terms energy: -395.905620 where: bonds (distance) C4'-P energy: -85.130 bonds (distance) P-C4' energy: -62.916 flat angles C4'-P-C4' energy: -81.478 flat angles P-C4'-P energy: -63.711 tors. eta vs tors. theta energy: -102.670 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: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1094.023322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.023322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.023322 (E_RNA) where: Base-Base interactions energy: -726.082 where: short stacking energy: -300.365 Base-Backbone interact. energy: -2.961 local terms energy: -364.980339 where: bonds (distance) C4'-P energy: -71.044 bonds (distance) P-C4' energy: -82.023 flat angles C4'-P-C4' energy: -91.488 flat angles P-C4'-P energy: -48.047 tors. eta vs tors. theta energy: -72.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -834.975080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.975080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.975080 (E_RNA) where: Base-Base interactions energy: -496.452 where: short stacking energy: -239.088 Base-Backbone interact. energy: 1.625 local terms energy: -340.148136 where: bonds (distance) C4'-P energy: -73.199 bonds (distance) P-C4' energy: -87.146 flat angles C4'-P-C4' energy: -81.320 flat angles P-C4'-P energy: -52.726 tors. eta vs tors. theta energy: -45.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -610.368573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.368573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.368573 (E_RNA) where: Base-Base interactions energy: -299.010 where: short stacking energy: -169.888 Base-Backbone interact. energy: -1.194 local terms energy: -310.164379 where: bonds (distance) C4'-P energy: -75.644 bonds (distance) P-C4' energy: -82.606 flat angles C4'-P-C4' energy: -79.347 flat angles P-C4'-P energy: -50.873 tors. eta vs tors. theta energy: -21.695 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -567.020252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.020252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.020252 (E_RNA) where: Base-Base interactions energy: -335.085 where: short stacking energy: -169.093 Base-Backbone interact. energy: 4.691 local terms energy: -236.626259 where: bonds (distance) C4'-P energy: -71.135 bonds (distance) P-C4' energy: -67.322 flat angles C4'-P-C4' energy: -65.104 flat angles P-C4'-P energy: -22.703 tors. eta vs tors. theta energy: -10.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -508.907041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.907041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.907041 (E_RNA) where: Base-Base interactions energy: -260.995 where: short stacking energy: -147.837 Base-Backbone interact. energy: -0.363 local terms energy: -247.548997 where: bonds (distance) C4'-P energy: -62.985 bonds (distance) P-C4' energy: -76.260 flat angles C4'-P-C4' energy: -63.156 flat angles P-C4'-P energy: -47.980 tors. eta vs tors. theta energy: 2.832 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: 4 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1590.919205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.919205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.919205 (E_RNA) where: Base-Base interactions energy: -1100.653 where: short stacking energy: -456.687 Base-Backbone interact. energy: -2.328 local terms energy: -487.938647 where: bonds (distance) C4'-P energy: -96.302 bonds (distance) P-C4' energy: -90.489 flat angles C4'-P-C4' energy: -103.158 flat angles P-C4'-P energy: -60.128 tors. eta vs tors. theta energy: -137.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1535.008455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.008455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.008455 (E_RNA) where: Base-Base interactions energy: -1043.077 where: short stacking energy: -439.308 Base-Backbone interact. energy: -1.976 local terms energy: -489.955635 where: bonds (distance) C4'-P energy: -86.943 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -103.006 flat angles P-C4'-P energy: -71.943 tors. eta vs tors. theta energy: -137.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1427.048537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.048537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.048537 (E_RNA) where: Base-Base interactions energy: -989.646 where: short stacking energy: -411.788 Base-Backbone interact. energy: -2.201 local terms energy: -435.202355 where: bonds (distance) C4'-P energy: -79.522 bonds (distance) P-C4' energy: -84.438 flat angles C4'-P-C4' energy: -92.198 flat angles P-C4'-P energy: -59.436 tors. eta vs tors. theta energy: -119.608 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: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1271.158520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.158520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.158520 (E_RNA) where: Base-Base interactions energy: -843.009 where: short stacking energy: -362.457 Base-Backbone interact. energy: -0.468 local terms energy: -427.682066 where: bonds (distance) C4'-P energy: -80.352 bonds (distance) P-C4' energy: -91.460 flat angles C4'-P-C4' energy: -88.441 flat angles P-C4'-P energy: -61.338 tors. eta vs tors. theta energy: -106.091 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: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1180.888777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.888777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.888777 (E_RNA) where: Base-Base interactions energy: -785.474 where: short stacking energy: -322.804 Base-Backbone interact. energy: -1.716 local terms energy: -393.699521 where: bonds (distance) C4'-P energy: -82.403 bonds (distance) P-C4' energy: -80.951 flat angles C4'-P-C4' energy: -84.857 flat angles P-C4'-P energy: -56.997 tors. eta vs tors. theta energy: -88.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1064.235240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.235240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.235240 (E_RNA) where: Base-Base interactions energy: -706.429 where: short stacking energy: -314.192 Base-Backbone interact. energy: -2.162 local terms energy: -355.643899 where: bonds (distance) C4'-P energy: -59.689 bonds (distance) P-C4' energy: -89.800 flat angles C4'-P-C4' energy: -76.249 flat angles P-C4'-P energy: -61.919 tors. eta vs tors. theta energy: -67.987 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: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -807.943873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.943873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.943873 (E_RNA) where: Base-Base interactions energy: -477.359 where: short stacking energy: -232.908 Base-Backbone interact. energy: -0.537 local terms energy: -330.047888 where: bonds (distance) C4'-P energy: -83.824 bonds (distance) P-C4' energy: -79.643 flat angles C4'-P-C4' energy: -68.254 flat angles P-C4'-P energy: -56.983 tors. eta vs tors. theta energy: -41.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -628.701148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.701148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.701148 (E_RNA) where: Base-Base interactions energy: -330.224 where: short stacking energy: -178.343 Base-Backbone interact. energy: -0.295 local terms energy: -298.182907 where: bonds (distance) C4'-P energy: -82.466 bonds (distance) P-C4' energy: -75.542 flat angles C4'-P-C4' energy: -73.077 flat angles P-C4'-P energy: -45.929 tors. eta vs tors. theta energy: -21.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -545.382110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.382110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.382110 (E_RNA) where: Base-Base interactions energy: -286.489 where: short stacking energy: -155.288 Base-Backbone interact. energy: -1.938 local terms energy: -256.954748 where: bonds (distance) C4'-P energy: -72.210 bonds (distance) P-C4' energy: -77.828 flat angles C4'-P-C4' energy: -56.180 flat angles P-C4'-P energy: -45.991 tors. eta vs tors. theta energy: -4.747 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: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -514.329011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.329011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.329011 (E_RNA) where: Base-Base interactions energy: -283.810 where: short stacking energy: -151.506 Base-Backbone interact. energy: -1.044 local terms energy: -229.475258 where: bonds (distance) C4'-P energy: -67.848 bonds (distance) P-C4' energy: -80.063 flat angles C4'-P-C4' energy: -60.789 flat angles P-C4'-P energy: -29.095 tors. eta vs tors. theta energy: 8.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1559.379627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.379627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.379627 (E_RNA) where: Base-Base interactions energy: -1063.433 where: short stacking energy: -437.676 Base-Backbone interact. energy: -2.679 local terms energy: -493.267864 where: bonds (distance) C4'-P energy: -91.798 bonds (distance) P-C4' energy: -92.575 flat angles C4'-P-C4' energy: -98.116 flat angles P-C4'-P energy: -75.290 tors. eta vs tors. theta energy: -135.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1526.892350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.892350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.892350 (E_RNA) where: Base-Base interactions energy: -1058.749 where: short stacking energy: -441.730 Base-Backbone interact. energy: -3.480 local terms energy: -464.664054 where: bonds (distance) C4'-P energy: -84.655 bonds (distance) P-C4' energy: -78.198 flat angles C4'-P-C4' energy: -86.265 flat angles P-C4'-P energy: -75.162 tors. eta vs tors. theta energy: -140.383 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: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1426.481386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.481386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.481386 (E_RNA) where: Base-Base interactions energy: -972.679 where: short stacking energy: -389.599 Base-Backbone interact. energy: 0.631 local terms energy: -454.433078 where: bonds (distance) C4'-P energy: -89.947 bonds (distance) P-C4' energy: -83.809 flat angles C4'-P-C4' energy: -101.047 flat angles P-C4'-P energy: -69.583 tors. eta vs tors. theta energy: -110.047 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: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1279.457919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.457919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.457919 (E_RNA) where: Base-Base interactions energy: -852.724 where: short stacking energy: -359.028 Base-Backbone interact. energy: -0.784 local terms energy: -425.949252 where: bonds (distance) C4'-P energy: -87.041 bonds (distance) P-C4' energy: -75.675 flat angles C4'-P-C4' energy: -96.125 flat angles P-C4'-P energy: -64.802 tors. eta vs tors. theta energy: -102.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1176.541075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.541075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.541075 (E_RNA) where: Base-Base interactions energy: -799.013 where: short stacking energy: -360.990 Base-Backbone interact. energy: -2.078 local terms energy: -375.449355 where: bonds (distance) C4'-P energy: -81.210 bonds (distance) P-C4' energy: -73.451 flat angles C4'-P-C4' energy: -85.501 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: -93.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1041.474966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.474966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.474966 (E_RNA) where: Base-Base interactions energy: -658.387 where: short stacking energy: -311.637 Base-Backbone interact. energy: -2.216 local terms energy: -380.872596 where: bonds (distance) C4'-P energy: -81.910 bonds (distance) P-C4' energy: -83.122 flat angles C4'-P-C4' energy: -82.438 flat angles P-C4'-P energy: -49.573 tors. eta vs tors. theta energy: -83.829 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: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -689.754183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.754183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.754183 (E_RNA) where: Base-Base interactions energy: -399.239 where: short stacking energy: -188.118 Base-Backbone interact. energy: -3.601 local terms energy: -286.914575 where: bonds (distance) C4'-P energy: -84.631 bonds (distance) P-C4' energy: -74.784 flat angles C4'-P-C4' energy: -73.725 flat angles P-C4'-P energy: -31.955 tors. eta vs tors. theta energy: -21.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -755.583244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.583244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.583244 (E_RNA) where: Base-Base interactions energy: -457.754 where: short stacking energy: -211.282 Base-Backbone interact. energy: -0.296 local terms energy: -297.533721 where: bonds (distance) C4'-P energy: -77.950 bonds (distance) P-C4' energy: -79.040 flat angles C4'-P-C4' energy: -73.832 flat angles P-C4'-P energy: -42.508 tors. eta vs tors. theta energy: -24.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -558.562251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.562251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.562251 (E_RNA) where: Base-Base interactions energy: -290.396 where: short stacking energy: -184.477 Base-Backbone interact. energy: 3.386 local terms energy: -271.552445 where: bonds (distance) C4'-P energy: -78.002 bonds (distance) P-C4' energy: -75.192 flat angles C4'-P-C4' energy: -63.159 flat angles P-C4'-P energy: -37.084 tors. eta vs tors. theta energy: -18.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -536.311455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.311455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.311455 (E_RNA) where: Base-Base interactions energy: -253.766 where: short stacking energy: -139.090 Base-Backbone interact. energy: 0.125 local terms energy: -282.670381 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -94.705 flat angles C4'-P-C4' energy: -74.294 flat angles P-C4'-P energy: -42.975 tors. eta vs tors. theta energy: 8.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1575.998182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.998182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.998182 (E_RNA) where: Base-Base interactions energy: -1086.303 where: short stacking energy: -451.883 Base-Backbone interact. energy: -1.249 local terms energy: -488.446363 where: bonds (distance) C4'-P energy: -90.796 bonds (distance) P-C4' energy: -80.374 flat angles C4'-P-C4' energy: -109.615 flat angles P-C4'-P energy: -74.795 tors. eta vs tors. theta energy: -132.866 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: 4 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1568.236852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.236852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.236852 (E_RNA) where: Base-Base interactions energy: -1092.932 where: short stacking energy: -445.134 Base-Backbone interact. energy: 0.177 local terms energy: -475.482273 where: bonds (distance) C4'-P energy: -81.316 bonds (distance) P-C4' energy: -89.453 flat angles C4'-P-C4' energy: -101.789 flat angles P-C4'-P energy: -74.453 tors. eta vs tors. theta energy: -128.471 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: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1420.930826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.930826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.930826 (E_RNA) where: Base-Base interactions energy: -958.312 where: short stacking energy: -396.484 Base-Backbone interact. energy: -4.317 local terms energy: -458.301981 where: bonds (distance) C4'-P energy: -93.460 bonds (distance) P-C4' energy: -96.365 flat angles C4'-P-C4' energy: -100.359 flat angles P-C4'-P energy: -59.139 tors. eta vs tors. theta energy: -108.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1287.558777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.558777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.558777 (E_RNA) where: Base-Base interactions energy: -860.650 where: short stacking energy: -359.427 Base-Backbone interact. energy: 0.085 local terms energy: -426.994266 where: bonds (distance) C4'-P energy: -71.206 bonds (distance) P-C4' energy: -76.320 flat angles C4'-P-C4' energy: -105.897 flat angles P-C4'-P energy: -72.219 tors. eta vs tors. theta energy: -101.352 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: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1167.989092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.989092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.989092 (E_RNA) where: Base-Base interactions energy: -760.316 where: short stacking energy: -357.785 Base-Backbone interact. energy: -3.248 local terms energy: -404.425239 where: bonds (distance) C4'-P energy: -75.949 bonds (distance) P-C4' energy: -89.380 flat angles C4'-P-C4' energy: -78.670 flat angles P-C4'-P energy: -59.103 tors. eta vs tors. theta energy: -101.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1127.206938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.206938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.206938 (E_RNA) where: Base-Base interactions energy: -719.837 where: short stacking energy: -345.326 Base-Backbone interact. energy: 1.285 local terms energy: -408.654456 where: bonds (distance) C4'-P energy: -83.288 bonds (distance) P-C4' energy: -90.115 flat angles C4'-P-C4' energy: -87.337 flat angles P-C4'-P energy: -59.383 tors. eta vs tors. theta energy: -88.531 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: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -675.743155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.743155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.743155 (E_RNA) where: Base-Base interactions energy: -354.300 where: short stacking energy: -193.932 Base-Backbone interact. energy: 9.230 local terms energy: -330.673774 where: bonds (distance) C4'-P energy: -75.949 bonds (distance) P-C4' energy: -83.756 flat angles C4'-P-C4' energy: -77.124 flat angles P-C4'-P energy: -68.924 tors. eta vs tors. theta energy: -24.920 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: 147 Temperature: 1.250000 Total energy: -750.249536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.249536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.249536 (E_RNA) where: Base-Base interactions energy: -430.963 where: short stacking energy: -207.027 Base-Backbone interact. energy: 6.042 local terms energy: -325.328465 where: bonds (distance) C4'-P energy: -70.975 bonds (distance) P-C4' energy: -89.814 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -43.215 tors. eta vs tors. theta energy: -38.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -542.565875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.565875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.565875 (E_RNA) where: Base-Base interactions energy: -274.462 where: short stacking energy: -137.961 Base-Backbone interact. energy: -1.869 local terms energy: -266.234384 where: bonds (distance) C4'-P energy: -74.256 bonds (distance) P-C4' energy: -77.912 flat angles C4'-P-C4' energy: -69.881 flat angles P-C4'-P energy: -45.089 tors. eta vs tors. theta energy: 0.903 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: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -518.880518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.880518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.880518 (E_RNA) where: Base-Base interactions energy: -251.310 where: short stacking energy: -138.406 Base-Backbone interact. energy: 0.578 local terms energy: -268.148525 where: bonds (distance) C4'-P energy: -79.132 bonds (distance) P-C4' energy: -72.730 flat angles C4'-P-C4' energy: -76.997 flat angles P-C4'-P energy: -44.067 tors. eta vs tors. theta energy: 4.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1577.615782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.615782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.615782 (E_RNA) where: Base-Base interactions energy: -1089.304 where: short stacking energy: -446.069 Base-Backbone interact. energy: -2.592 local terms energy: -485.719822 where: bonds (distance) C4'-P energy: -86.111 bonds (distance) P-C4' energy: -92.690 flat angles C4'-P-C4' energy: -104.859 flat angles P-C4'-P energy: -72.292 tors. eta vs tors. theta energy: -129.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1538.832679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.832679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.832679 (E_RNA) where: Base-Base interactions energy: -1071.560 where: short stacking energy: -443.905 Base-Backbone interact. energy: -1.277 local terms energy: -465.995608 where: bonds (distance) C4'-P energy: -73.525 bonds (distance) P-C4' energy: -88.872 flat angles C4'-P-C4' energy: -103.221 flat angles P-C4'-P energy: -64.725 tors. eta vs tors. theta energy: -135.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1432.428864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.428864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.428864 (E_RNA) where: Base-Base interactions energy: -956.632 where: short stacking energy: -403.237 Base-Backbone interact. energy: -1.870 local terms energy: -473.926145 where: bonds (distance) C4'-P energy: -92.343 bonds (distance) P-C4' energy: -92.817 flat angles C4'-P-C4' energy: -100.008 flat angles P-C4'-P energy: -65.146 tors. eta vs tors. theta energy: -123.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1274.836515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.836515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.836515 (E_RNA) where: Base-Base interactions energy: -854.078 where: short stacking energy: -396.206 Base-Backbone interact. energy: 0.764 local terms energy: -421.523384 where: bonds (distance) C4'-P energy: -75.326 bonds (distance) P-C4' energy: -82.767 flat angles C4'-P-C4' energy: -86.963 flat angles P-C4'-P energy: -68.131 tors. eta vs tors. theta energy: -108.335 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: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1188.480948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.480948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.480948 (E_RNA) where: Base-Base interactions energy: -796.091 where: short stacking energy: -325.251 Base-Backbone interact. energy: -1.568 local terms energy: -390.821563 where: bonds (distance) C4'-P energy: -82.201 bonds (distance) P-C4' energy: -86.292 flat angles C4'-P-C4' energy: -87.847 flat angles P-C4'-P energy: -53.032 tors. eta vs tors. theta energy: -81.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1096.358051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.358051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.358051 (E_RNA) where: Base-Base interactions energy: -704.202 where: short stacking energy: -309.444 Base-Backbone interact. energy: 1.908 local terms energy: -394.064388 where: bonds (distance) C4'-P energy: -74.937 bonds (distance) P-C4' energy: -83.182 flat angles C4'-P-C4' energy: -93.324 flat angles P-C4'-P energy: -53.870 tors. eta vs tors. theta energy: -88.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -718.272562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.272562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.272562 (E_RNA) where: Base-Base interactions energy: -398.925 where: short stacking energy: -189.741 Base-Backbone interact. energy: -2.592 local terms energy: -316.755782 where: bonds (distance) C4'-P energy: -77.396 bonds (distance) P-C4' energy: -84.228 flat angles C4'-P-C4' energy: -80.162 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: -25.527 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: 148 Temperature: 1.250000 Total energy: -730.516256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.516256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.516256 (E_RNA) where: Base-Base interactions energy: -438.413 where: short stacking energy: -206.667 Base-Backbone interact. energy: 3.819 local terms energy: -295.922560 where: bonds (distance) C4'-P energy: -75.978 bonds (distance) P-C4' energy: -73.631 flat angles C4'-P-C4' energy: -80.118 flat angles P-C4'-P energy: -37.082 tors. eta vs tors. theta energy: -29.113 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: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -562.941394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.941394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.941394 (E_RNA) where: Base-Base interactions energy: -261.643 where: short stacking energy: -162.573 Base-Backbone interact. energy: -0.414 local terms energy: -300.883690 where: bonds (distance) C4'-P energy: -79.804 bonds (distance) P-C4' energy: -90.514 flat angles C4'-P-C4' energy: -74.199 flat angles P-C4'-P energy: -41.706 tors. eta vs tors. theta energy: -14.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -499.064619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.064619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.064619 (E_RNA) where: Base-Base interactions energy: -237.380 where: short stacking energy: -115.909 Base-Backbone interact. energy: 1.322 local terms energy: -263.007161 where: bonds (distance) C4'-P energy: -89.481 bonds (distance) P-C4' energy: -74.923 flat angles C4'-P-C4' energy: -68.869 flat angles P-C4'-P energy: -35.590 tors. eta vs tors. theta energy: 5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1575.360680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.360680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.360680 (E_RNA) where: Base-Base interactions energy: -1096.492 where: short stacking energy: -463.179 Base-Backbone interact. energy: 0.443 local terms energy: -479.311736 where: bonds (distance) C4'-P energy: -89.029 bonds (distance) P-C4' energy: -87.584 flat angles C4'-P-C4' energy: -104.517 flat angles P-C4'-P energy: -63.028 tors. eta vs tors. theta energy: -135.154 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: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1552.963916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.963916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.963916 (E_RNA) where: Base-Base interactions energy: -1085.187 where: short stacking energy: -450.210 Base-Backbone interact. energy: -0.794 local terms energy: -466.983607 where: bonds (distance) C4'-P energy: -94.427 bonds (distance) P-C4' energy: -85.009 flat angles C4'-P-C4' energy: -93.774 flat angles P-C4'-P energy: -64.141 tors. eta vs tors. theta energy: -129.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1462.876287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.876287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.876287 (E_RNA) where: Base-Base interactions energy: -1019.451 where: short stacking energy: -429.277 Base-Backbone interact. energy: -1.273 local terms energy: -442.152006 where: bonds (distance) C4'-P energy: -77.067 bonds (distance) P-C4' energy: -86.560 flat angles C4'-P-C4' energy: -91.681 flat angles P-C4'-P energy: -61.244 tors. eta vs tors. theta energy: -125.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1285.631531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.631531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.631531 (E_RNA) where: Base-Base interactions energy: -850.974 where: short stacking energy: -379.297 Base-Backbone interact. energy: -0.868 local terms energy: -433.788987 where: bonds (distance) C4'-P energy: -91.989 bonds (distance) P-C4' energy: -87.667 flat angles C4'-P-C4' energy: -93.525 flat angles P-C4'-P energy: -55.170 tors. eta vs tors. theta energy: -105.438 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: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1212.644411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.644411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.644411 (E_RNA) where: Base-Base interactions energy: -809.320 where: short stacking energy: -351.663 Base-Backbone interact. energy: 4.000 local terms energy: -407.324810 where: bonds (distance) C4'-P energy: -85.983 bonds (distance) P-C4' energy: -69.193 flat angles C4'-P-C4' energy: -95.487 flat angles P-C4'-P energy: -59.752 tors. eta vs tors. theta energy: -96.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1067.665751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.665751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.665751 (E_RNA) where: Base-Base interactions energy: -693.147 where: short stacking energy: -319.790 Base-Backbone interact. energy: -0.749 local terms energy: -373.769295 where: bonds (distance) C4'-P energy: -79.674 bonds (distance) P-C4' energy: -85.609 flat angles C4'-P-C4' energy: -73.773 flat angles P-C4'-P energy: -48.268 tors. eta vs tors. theta energy: -86.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -734.114178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.114178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.114178 (E_RNA) where: Base-Base interactions energy: -431.181 where: short stacking energy: -209.752 Base-Backbone interact. energy: 0.982 local terms energy: -303.916104 where: bonds (distance) C4'-P energy: -72.374 bonds (distance) P-C4' energy: -86.272 flat angles C4'-P-C4' energy: -87.245 flat angles P-C4'-P energy: -34.419 tors. eta vs tors. theta energy: -23.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -742.114505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.114505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.114505 (E_RNA) where: Base-Base interactions energy: -444.090 where: short stacking energy: -216.701 Base-Backbone interact. energy: 1.015 local terms energy: -299.039381 where: bonds (distance) C4'-P energy: -71.647 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -74.883 flat angles P-C4'-P energy: -38.066 tors. eta vs tors. theta energy: -31.163 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: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -611.868245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.868245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.868245 (E_RNA) where: Base-Base interactions energy: -336.915 where: short stacking energy: -179.791 Base-Backbone interact. energy: -2.509 local terms energy: -272.444493 where: bonds (distance) C4'-P energy: -80.028 bonds (distance) P-C4' energy: -76.328 flat angles C4'-P-C4' energy: -67.313 flat angles P-C4'-P energy: -36.880 tors. eta vs tors. theta energy: -11.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -506.940838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.940838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.940838 (E_RNA) where: Base-Base interactions energy: -266.864 where: short stacking energy: -142.260 Base-Backbone interact. energy: -1.364 local terms energy: -238.713418 where: bonds (distance) C4'-P energy: -75.359 bonds (distance) P-C4' energy: -73.395 flat angles C4'-P-C4' energy: -60.285 flat angles P-C4'-P energy: -45.391 tors. eta vs tors. theta energy: 15.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1575.918708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.918708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.918708 (E_RNA) where: Base-Base interactions energy: -1093.004 where: short stacking energy: -467.713 Base-Backbone interact. energy: -0.442 local terms energy: -482.473148 where: bonds (distance) C4'-P energy: -79.623 bonds (distance) P-C4' energy: -82.747 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -73.000 tors. eta vs tors. theta energy: -137.459 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: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1513.814948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.814948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.814948 (E_RNA) where: Base-Base interactions energy: -1021.379 where: short stacking energy: -438.798 Base-Backbone interact. energy: -2.397 local terms energy: -490.039287 where: bonds (distance) C4'-P energy: -91.701 bonds (distance) P-C4' energy: -93.271 flat angles C4'-P-C4' energy: -93.883 flat angles P-C4'-P energy: -76.003 tors. eta vs tors. theta energy: -135.181 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: 150 Temperature: 1.000000 Total energy: -1450.954383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.954383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.954383 (E_RNA) where: Base-Base interactions energy: -994.638 where: short stacking energy: -397.590 Base-Backbone interact. energy: -3.103 local terms energy: -453.213581 where: bonds (distance) C4'-P energy: -85.382 bonds (distance) P-C4' energy: -81.563 flat angles C4'-P-C4' energy: -98.926 flat angles P-C4'-P energy: -65.981 tors. eta vs tors. theta energy: -121.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1292.062067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.062067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.062067 (E_RNA) where: Base-Base interactions energy: -850.189 where: short stacking energy: -381.379 Base-Backbone interact. energy: 0.597 local terms energy: -442.470173 where: bonds (distance) C4'-P energy: -81.993 bonds (distance) P-C4' energy: -81.590 flat angles C4'-P-C4' energy: -97.552 flat angles P-C4'-P energy: -74.125 tors. eta vs tors. theta energy: -107.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1180.198359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.198359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.198359 (E_RNA) where: Base-Base interactions energy: -766.146 where: short stacking energy: -326.913 Base-Backbone interact. energy: -1.468 local terms energy: -412.584271 where: bonds (distance) C4'-P energy: -78.866 bonds (distance) P-C4' energy: -80.109 flat angles C4'-P-C4' energy: -85.131 flat angles P-C4'-P energy: -66.427 tors. eta vs tors. theta energy: -102.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1067.411433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.411433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.411433 (E_RNA) where: Base-Base interactions energy: -671.214 where: short stacking energy: -325.654 Base-Backbone interact. energy: 0.488 local terms energy: -396.685039 where: bonds (distance) C4'-P energy: -84.642 bonds (distance) P-C4' energy: -84.880 flat angles C4'-P-C4' energy: -75.073 flat angles P-C4'-P energy: -67.481 tors. eta vs tors. theta energy: -84.608 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: 7, replica: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -746.614947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.614947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.614947 (E_RNA) where: Base-Base interactions energy: -441.304 where: short stacking energy: -184.162 Base-Backbone interact. energy: 2.555 local terms energy: -307.865931 where: bonds (distance) C4'-P energy: -84.375 bonds (distance) P-C4' energy: -85.054 flat angles C4'-P-C4' energy: -79.183 flat angles P-C4'-P energy: -52.080 tors. eta vs tors. theta energy: -7.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -816.564805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.564805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.564805 (E_RNA) where: Base-Base interactions energy: -498.541 where: short stacking energy: -230.995 Base-Backbone interact. energy: -0.415 local terms energy: -317.608988 where: bonds (distance) C4'-P energy: -78.987 bonds (distance) P-C4' energy: -75.082 flat angles C4'-P-C4' energy: -80.215 flat angles P-C4'-P energy: -41.915 tors. eta vs tors. theta energy: -41.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -571.943826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.943826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.943826 (E_RNA) where: Base-Base interactions energy: -313.526 where: short stacking energy: -160.017 Base-Backbone interact. energy: -0.935 local terms energy: -257.482407 where: bonds (distance) C4'-P energy: -69.315 bonds (distance) P-C4' energy: -73.211 flat angles C4'-P-C4' energy: -68.576 flat angles P-C4'-P energy: -46.576 tors. eta vs tors. theta energy: 0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -566.931270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.931270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.931270 (E_RNA) where: Base-Base interactions energy: -286.649 where: short stacking energy: -140.566 Base-Backbone interact. energy: 5.896 local terms energy: -286.177862 where: bonds (distance) C4'-P energy: -74.178 bonds (distance) P-C4' energy: -73.296 flat angles C4'-P-C4' energy: -69.324 flat angles P-C4'-P energy: -50.546 tors. eta vs tors. theta energy: -18.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1574.014646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.014646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.014646 (E_RNA) where: Base-Base interactions energy: -1087.863 where: short stacking energy: -464.456 Base-Backbone interact. energy: -0.790 local terms energy: -485.361890 where: bonds (distance) C4'-P energy: -85.097 bonds (distance) P-C4' energy: -93.953 flat angles C4'-P-C4' energy: -112.006 flat angles P-C4'-P energy: -65.847 tors. eta vs tors. theta energy: -128.459 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: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1555.920750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.920750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.920750 (E_RNA) where: Base-Base interactions energy: -1080.371 where: short stacking energy: -440.411 Base-Backbone interact. energy: -5.820 local terms energy: -469.730053 where: bonds (distance) C4'-P energy: -84.686 bonds (distance) P-C4' energy: -90.033 flat angles C4'-P-C4' energy: -90.316 flat angles P-C4'-P energy: -75.722 tors. eta vs tors. theta energy: -128.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1459.962826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.962826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.962826 (E_RNA) where: Base-Base interactions energy: -987.060 where: short stacking energy: -418.268 Base-Backbone interact. energy: -3.451 local terms energy: -469.451672 where: bonds (distance) C4'-P energy: -82.201 bonds (distance) P-C4' energy: -94.812 flat angles C4'-P-C4' energy: -98.934 flat angles P-C4'-P energy: -69.911 tors. eta vs tors. theta energy: -123.594 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: 4, replica: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1273.698361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.698361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.698361 (E_RNA) where: Base-Base interactions energy: -851.091 where: short stacking energy: -376.917 Base-Backbone interact. energy: -1.475 local terms energy: -421.133089 where: bonds (distance) C4'-P energy: -81.180 bonds (distance) P-C4' energy: -93.026 flat angles C4'-P-C4' energy: -88.111 flat angles P-C4'-P energy: -57.144 tors. eta vs tors. theta energy: -101.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1210.503991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.503991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.503991 (E_RNA) where: Base-Base interactions energy: -788.085 where: short stacking energy: -378.336 Base-Backbone interact. energy: -1.252 local terms energy: -421.167112 where: bonds (distance) C4'-P energy: -77.502 bonds (distance) P-C4' energy: -69.297 flat angles C4'-P-C4' energy: -96.180 flat angles P-C4'-P energy: -66.644 tors. eta vs tors. theta energy: -111.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -988.682531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.682531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.682531 (E_RNA) where: Base-Base interactions energy: -618.239 where: short stacking energy: -292.122 Base-Backbone interact. energy: -0.753 local terms energy: -369.690618 where: bonds (distance) C4'-P energy: -79.184 bonds (distance) P-C4' energy: -77.370 flat angles C4'-P-C4' energy: -74.270 flat angles P-C4'-P energy: -54.278 tors. eta vs tors. theta energy: -84.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -785.557376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.557376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.557376 (E_RNA) where: Base-Base interactions energy: -450.565 where: short stacking energy: -233.354 Base-Backbone interact. energy: -2.058 local terms energy: -332.933808 where: bonds (distance) C4'-P energy: -75.206 bonds (distance) P-C4' energy: -95.305 flat angles C4'-P-C4' energy: -71.039 flat angles P-C4'-P energy: -41.364 tors. eta vs tors. theta energy: -50.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -761.811725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.811725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.811725 (E_RNA) where: Base-Base interactions energy: -479.656 where: short stacking energy: -210.895 Base-Backbone interact. energy: 0.516 local terms energy: -282.672292 where: bonds (distance) C4'-P energy: -72.898 bonds (distance) P-C4' energy: -70.820 flat angles C4'-P-C4' energy: -79.547 flat angles P-C4'-P energy: -38.945 tors. eta vs tors. theta energy: -20.462 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: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -560.434974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.434974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.434974 (E_RNA) where: Base-Base interactions energy: -279.074 where: short stacking energy: -165.313 Base-Backbone interact. energy: 0.044 local terms energy: -281.404787 where: bonds (distance) C4'-P energy: -73.719 bonds (distance) P-C4' energy: -69.747 flat angles C4'-P-C4' energy: -80.923 flat angles P-C4'-P energy: -43.199 tors. eta vs tors. theta energy: -13.817 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: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -534.896535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.896535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.896535 (E_RNA) where: Base-Base interactions energy: -274.913 where: short stacking energy: -139.214 Base-Backbone interact. energy: 0.690 local terms energy: -260.674358 where: bonds (distance) C4'-P energy: -77.382 bonds (distance) P-C4' energy: -81.602 flat angles C4'-P-C4' energy: -58.966 flat angles P-C4'-P energy: -42.580 tors. eta vs tors. theta energy: -0.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1588.992194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.992194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.992194 (E_RNA) where: Base-Base interactions energy: -1101.282 where: short stacking energy: -456.988 Base-Backbone interact. energy: -0.082 local terms energy: -487.627577 where: bonds (distance) C4'-P energy: -86.167 bonds (distance) P-C4' energy: -90.377 flat angles C4'-P-C4' energy: -107.797 flat angles P-C4'-P energy: -70.999 tors. eta vs tors. theta energy: -132.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1515.850463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.850463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.850463 (E_RNA) where: Base-Base interactions energy: -1032.182 where: short stacking energy: -419.598 Base-Backbone interact. energy: -1.794 local terms energy: -481.874562 where: bonds (distance) C4'-P energy: -89.338 bonds (distance) P-C4' energy: -83.658 flat angles C4'-P-C4' energy: -105.567 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -128.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1434.802635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.802635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.802635 (E_RNA) where: Base-Base interactions energy: -992.780 where: short stacking energy: -408.688 Base-Backbone interact. energy: -2.828 local terms energy: -439.194641 where: bonds (distance) C4'-P energy: -82.340 bonds (distance) P-C4' energy: -87.347 flat angles C4'-P-C4' energy: -87.581 flat angles P-C4'-P energy: -57.564 tors. eta vs tors. theta energy: -124.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1272.524507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.524507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.524507 (E_RNA) where: Base-Base interactions energy: -852.087 where: short stacking energy: -373.196 Base-Backbone interact. energy: -1.449 local terms energy: -418.988448 where: bonds (distance) C4'-P energy: -78.585 bonds (distance) P-C4' energy: -88.801 flat angles C4'-P-C4' energy: -94.788 flat angles P-C4'-P energy: -52.493 tors. eta vs tors. theta energy: -104.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1173.324286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.324286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.324286 (E_RNA) where: Base-Base interactions energy: -787.432 where: short stacking energy: -358.238 Base-Backbone interact. energy: 0.302 local terms energy: -386.194909 where: bonds (distance) C4'-P energy: -77.675 bonds (distance) P-C4' energy: -74.689 flat angles C4'-P-C4' energy: -81.899 flat angles P-C4'-P energy: -63.563 tors. eta vs tors. theta energy: -88.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1011.108170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.108170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.108170 (E_RNA) where: Base-Base interactions energy: -639.995 where: short stacking energy: -302.029 Base-Backbone interact. energy: 2.165 local terms energy: -373.278315 where: bonds (distance) C4'-P energy: -69.109 bonds (distance) P-C4' energy: -87.584 flat angles C4'-P-C4' energy: -75.215 flat angles P-C4'-P energy: -58.007 tors. eta vs tors. theta energy: -83.363 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: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -913.240935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.240935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.240935 (E_RNA) where: Base-Base interactions energy: -565.585 where: short stacking energy: -252.868 Base-Backbone interact. energy: -4.120 local terms energy: -343.536239 where: bonds (distance) C4'-P energy: -84.394 bonds (distance) P-C4' energy: -88.602 flat angles C4'-P-C4' energy: -84.955 flat angles P-C4'-P energy: -54.101 tors. eta vs tors. theta energy: -31.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -782.099595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.099595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.099595 (E_RNA) where: Base-Base interactions energy: -463.716 where: short stacking energy: -204.336 Base-Backbone interact. energy: -2.167 local terms energy: -316.216267 where: bonds (distance) C4'-P energy: -67.780 bonds (distance) P-C4' energy: -88.026 flat angles C4'-P-C4' energy: -80.932 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -35.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -533.359395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.359395 (E_RNA) where: Base-Base interactions energy: -266.076 where: short stacking energy: -134.810 Base-Backbone interact. energy: 0.231 local terms energy: -267.514050 where: bonds (distance) C4'-P energy: -69.519 bonds (distance) P-C4' energy: -80.638 flat angles C4'-P-C4' energy: -71.808 flat angles P-C4'-P energy: -43.012 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -537.985663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.985663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.985663 (E_RNA) where: Base-Base interactions energy: -267.988 where: short stacking energy: -143.033 Base-Backbone interact. energy: 1.004 local terms energy: -271.002497 where: bonds (distance) C4'-P energy: -72.889 bonds (distance) P-C4' energy: -79.408 flat angles C4'-P-C4' energy: -72.488 flat angles P-C4'-P energy: -34.450 tors. eta vs tors. theta energy: -11.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1599.732477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.732477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.732477 (E_RNA) where: Base-Base interactions energy: -1098.115 where: short stacking energy: -462.601 Base-Backbone interact. energy: -2.856 local terms energy: -498.761302 where: bonds (distance) C4'-P energy: -93.753 bonds (distance) P-C4' energy: -91.436 flat angles C4'-P-C4' energy: -108.197 flat angles P-C4'-P energy: -64.140 tors. eta vs tors. theta energy: -141.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1517.634015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.634015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.634015 (E_RNA) where: Base-Base interactions energy: -1028.097 where: short stacking energy: -428.160 Base-Backbone interact. energy: -2.760 local terms energy: -486.777003 where: bonds (distance) C4'-P energy: -91.334 bonds (distance) P-C4' energy: -89.621 flat angles C4'-P-C4' energy: -102.830 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: -129.569 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: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1463.947938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.947938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.947938 (E_RNA) where: Base-Base interactions energy: -1000.235 where: short stacking energy: -416.454 Base-Backbone interact. energy: -2.893 local terms energy: -460.819946 where: bonds (distance) C4'-P energy: -86.550 bonds (distance) P-C4' energy: -80.236 flat angles C4'-P-C4' energy: -100.948 flat angles P-C4'-P energy: -66.312 tors. eta vs tors. theta energy: -126.773 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: 5 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1267.911517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.911517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.911517 (E_RNA) where: Base-Base interactions energy: -850.865 where: short stacking energy: -357.475 Base-Backbone interact. energy: -0.729 local terms energy: -416.318035 where: bonds (distance) C4'-P energy: -77.420 bonds (distance) P-C4' energy: -94.288 flat angles C4'-P-C4' energy: -87.634 flat angles P-C4'-P energy: -56.404 tors. eta vs tors. theta energy: -100.572 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: 153 Temperature: 1.100000 Total energy: -1157.033276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.033276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.033276 (E_RNA) where: Base-Base interactions energy: -775.446 where: short stacking energy: -340.221 Base-Backbone interact. energy: -0.369 local terms energy: -381.218826 where: bonds (distance) C4'-P energy: -81.152 bonds (distance) P-C4' energy: -78.118 flat angles C4'-P-C4' energy: -93.195 flat angles P-C4'-P energy: -43.663 tors. eta vs tors. theta energy: -85.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1013.832267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.832267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.832267 (E_RNA) where: Base-Base interactions energy: -660.584 where: short stacking energy: -296.932 Base-Backbone interact. energy: -1.490 local terms energy: -351.758741 where: bonds (distance) C4'-P energy: -67.582 bonds (distance) P-C4' energy: -77.814 flat angles C4'-P-C4' energy: -88.385 flat angles P-C4'-P energy: -52.804 tors. eta vs tors. theta energy: -65.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -866.350624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.350624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.350624 (E_RNA) where: Base-Base interactions energy: -531.777 where: short stacking energy: -253.118 Base-Backbone interact. energy: -1.869 local terms energy: -332.704561 where: bonds (distance) C4'-P energy: -71.495 bonds (distance) P-C4' energy: -80.258 flat angles C4'-P-C4' energy: -79.613 flat angles P-C4'-P energy: -49.128 tors. eta vs tors. theta energy: -52.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -761.776154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.776154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.776154 (E_RNA) where: Base-Base interactions energy: -460.114 where: short stacking energy: -229.075 Base-Backbone interact. energy: -3.376 local terms energy: -298.286011 where: bonds (distance) C4'-P energy: -57.570 bonds (distance) P-C4' energy: -88.377 flat angles C4'-P-C4' energy: -77.578 flat angles P-C4'-P energy: -34.766 tors. eta vs tors. theta energy: -39.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -574.190600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.190600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.190600 (E_RNA) where: Base-Base interactions energy: -305.801 where: short stacking energy: -157.226 Base-Backbone interact. energy: -0.785 local terms energy: -267.604679 where: bonds (distance) C4'-P energy: -61.389 bonds (distance) P-C4' energy: -87.533 flat angles C4'-P-C4' energy: -59.505 flat angles P-C4'-P energy: -42.846 tors. eta vs tors. theta energy: -16.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -517.277512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.277512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.277512 (E_RNA) where: Base-Base interactions energy: -253.994 where: short stacking energy: -135.321 Base-Backbone interact. energy: -4.441 local terms energy: -258.842547 where: bonds (distance) C4'-P energy: -82.479 bonds (distance) P-C4' energy: -93.729 flat angles C4'-P-C4' energy: -55.615 flat angles P-C4'-P energy: -29.585 tors. eta vs tors. theta energy: 2.564 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: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1574.711692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.711692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.711692 (E_RNA) where: Base-Base interactions energy: -1080.349 where: short stacking energy: -454.885 Base-Backbone interact. energy: 0.566 local terms energy: -494.929231 where: bonds (distance) C4'-P energy: -88.495 bonds (distance) P-C4' energy: -91.330 flat angles C4'-P-C4' energy: -112.090 flat angles P-C4'-P energy: -73.564 tors. eta vs tors. theta energy: -129.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1545.559846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.559846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.559846 (E_RNA) where: Base-Base interactions energy: -1046.939 where: short stacking energy: -440.717 Base-Backbone interact. energy: -3.395 local terms energy: -495.226029 where: bonds (distance) C4'-P energy: -102.011 bonds (distance) P-C4' energy: -94.935 flat angles C4'-P-C4' energy: -98.476 flat angles P-C4'-P energy: -71.054 tors. eta vs tors. theta energy: -128.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1468.684621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.684621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.684621 (E_RNA) where: Base-Base interactions energy: -1000.485 where: short stacking energy: -417.443 Base-Backbone interact. energy: -0.428 local terms energy: -467.771982 where: bonds (distance) C4'-P energy: -90.485 bonds (distance) P-C4' energy: -97.372 flat angles C4'-P-C4' energy: -96.999 flat angles P-C4'-P energy: -66.024 tors. eta vs tors. theta energy: -116.892 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: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1285.327683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.327683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.327683 (E_RNA) where: Base-Base interactions energy: -856.553 where: short stacking energy: -367.707 Base-Backbone interact. energy: -0.172 local terms energy: -428.602491 where: bonds (distance) C4'-P energy: -69.464 bonds (distance) P-C4' energy: -93.341 flat angles C4'-P-C4' energy: -102.104 flat angles P-C4'-P energy: -58.627 tors. eta vs tors. theta energy: -105.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1145.780177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.780177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.780177 (E_RNA) where: Base-Base interactions energy: -757.090 where: short stacking energy: -345.662 Base-Backbone interact. energy: -0.376 local terms energy: -388.314565 where: bonds (distance) C4'-P energy: -71.363 bonds (distance) P-C4' energy: -83.570 flat angles C4'-P-C4' energy: -82.635 flat angles P-C4'-P energy: -54.522 tors. eta vs tors. theta energy: -96.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -997.623856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.623856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.623856 (E_RNA) where: Base-Base interactions energy: -626.712 where: short stacking energy: -283.637 Base-Backbone interact. energy: -3.558 local terms energy: -367.353876 where: bonds (distance) C4'-P energy: -94.736 bonds (distance) P-C4' energy: -86.704 flat angles C4'-P-C4' energy: -76.688 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -65.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -871.688097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.688097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.688097 (E_RNA) where: Base-Base interactions energy: -540.237 where: short stacking energy: -259.819 Base-Backbone interact. energy: 0.601 local terms energy: -332.052981 where: bonds (distance) C4'-P energy: -65.619 bonds (distance) P-C4' energy: -89.256 flat angles C4'-P-C4' energy: -85.370 flat angles P-C4'-P energy: -47.881 tors. eta vs tors. theta energy: -43.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -707.373818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.373818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.373818 (E_RNA) where: Base-Base interactions energy: -395.741 where: short stacking energy: -193.948 Base-Backbone interact. energy: -4.728 local terms energy: -306.904882 where: bonds (distance) C4'-P energy: -68.587 bonds (distance) P-C4' energy: -76.066 flat angles C4'-P-C4' energy: -72.208 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -34.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -562.105787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.105787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.105787 (E_RNA) where: Base-Base interactions energy: -290.864 where: short stacking energy: -163.708 Base-Backbone interact. energy: -2.433 local terms energy: -268.808462 where: bonds (distance) C4'-P energy: -77.015 bonds (distance) P-C4' energy: -73.862 flat angles C4'-P-C4' energy: -70.984 flat angles P-C4'-P energy: -36.255 tors. eta vs tors. theta energy: -10.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -530.242478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.242478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.242478 (E_RNA) where: Base-Base interactions energy: -251.860 where: short stacking energy: -136.237 Base-Backbone interact. energy: -3.708 local terms energy: -274.675190 where: bonds (distance) C4'-P energy: -77.205 bonds (distance) P-C4' energy: -86.773 flat angles C4'-P-C4' energy: -73.553 flat angles P-C4'-P energy: -30.486 tors. eta vs tors. theta energy: -6.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1575.769599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.769599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.769599 (E_RNA) where: Base-Base interactions energy: -1062.129 where: short stacking energy: -443.940 Base-Backbone interact. energy: -0.494 local terms energy: -513.146796 where: bonds (distance) C4'-P energy: -103.725 bonds (distance) P-C4' energy: -96.851 flat angles C4'-P-C4' energy: -104.379 flat angles P-C4'-P energy: -73.328 tors. eta vs tors. theta energy: -134.864 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: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1521.237166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.237166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.237166 (E_RNA) where: Base-Base interactions energy: -1047.030 where: short stacking energy: -437.732 Base-Backbone interact. energy: 0.103 local terms energy: -474.310491 where: bonds (distance) C4'-P energy: -88.074 bonds (distance) P-C4' energy: -90.577 flat angles C4'-P-C4' energy: -100.316 flat angles P-C4'-P energy: -60.830 tors. eta vs tors. theta energy: -134.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1455.081650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.081650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.081650 (E_RNA) where: Base-Base interactions energy: -999.773 where: short stacking energy: -433.416 Base-Backbone interact. energy: -1.180 local terms energy: -454.128632 where: bonds (distance) C4'-P energy: -85.235 bonds (distance) P-C4' energy: -80.858 flat angles C4'-P-C4' energy: -101.063 flat angles P-C4'-P energy: -57.851 tors. eta vs tors. theta energy: -129.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1253.228912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.228912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.228912 (E_RNA) where: Base-Base interactions energy: -829.491 where: short stacking energy: -357.218 Base-Backbone interact. energy: -0.609 local terms energy: -423.129071 where: bonds (distance) C4'-P energy: -76.584 bonds (distance) P-C4' energy: -79.170 flat angles C4'-P-C4' energy: -102.183 flat angles P-C4'-P energy: -62.746 tors. eta vs tors. theta energy: -102.446 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: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1067.247430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.247430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.247430 (E_RNA) where: Base-Base interactions energy: -677.799 where: short stacking energy: -296.339 Base-Backbone interact. energy: -1.899 local terms energy: -387.549031 where: bonds (distance) C4'-P energy: -96.817 bonds (distance) P-C4' energy: -70.283 flat angles C4'-P-C4' energy: -80.425 flat angles P-C4'-P energy: -65.289 tors. eta vs tors. theta energy: -74.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -996.576555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.576555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.576555 (E_RNA) where: Base-Base interactions energy: -621.017 where: short stacking energy: -267.302 Base-Backbone interact. energy: -4.167 local terms energy: -371.393086 where: bonds (distance) C4'-P energy: -99.867 bonds (distance) P-C4' energy: -76.392 flat angles C4'-P-C4' energy: -89.547 flat angles P-C4'-P energy: -44.388 tors. eta vs tors. theta energy: -61.199 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: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -775.532159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.532159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.532159 (E_RNA) where: Base-Base interactions energy: -434.216 where: short stacking energy: -217.622 Base-Backbone interact. energy: -1.319 local terms energy: -339.997189 where: bonds (distance) C4'-P energy: -89.296 bonds (distance) P-C4' energy: -78.072 flat angles C4'-P-C4' energy: -72.952 flat angles P-C4'-P energy: -64.357 tors. eta vs tors. theta energy: -35.319 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: 8, replica: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -695.804930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.804930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.804930 (E_RNA) where: Base-Base interactions energy: -388.920 where: short stacking energy: -187.264 Base-Backbone interact. energy: 0.986 local terms energy: -307.870880 where: bonds (distance) C4'-P energy: -75.052 bonds (distance) P-C4' energy: -80.616 flat angles C4'-P-C4' energy: -90.730 flat angles P-C4'-P energy: -41.112 tors. eta vs tors. theta energy: -20.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -514.165769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.165769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.165769 (E_RNA) where: Base-Base interactions energy: -253.363 where: short stacking energy: -148.616 Base-Backbone interact. energy: 1.236 local terms energy: -262.038537 where: bonds (distance) C4'-P energy: -77.339 bonds (distance) P-C4' energy: -82.094 flat angles C4'-P-C4' energy: -50.673 flat angles P-C4'-P energy: -41.710 tors. eta vs tors. theta energy: -10.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -518.029878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.029878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.029878 (E_RNA) where: Base-Base interactions energy: -254.458 where: short stacking energy: -152.713 Base-Backbone interact. energy: 1.585 local terms energy: -265.156084 where: bonds (distance) C4'-P energy: -81.279 bonds (distance) P-C4' energy: -76.296 flat angles C4'-P-C4' energy: -62.046 flat angles P-C4'-P energy: -45.008 tors. eta vs tors. theta energy: -0.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1569.925889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.925889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.925889 (E_RNA) where: Base-Base interactions energy: -1071.449 where: short stacking energy: -446.843 Base-Backbone interact. energy: -3.588 local terms energy: -494.888599 where: bonds (distance) C4'-P energy: -90.287 bonds (distance) P-C4' energy: -91.865 flat angles C4'-P-C4' energy: -104.504 flat angles P-C4'-P energy: -76.632 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: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1573.608136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.608136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.608136 (E_RNA) where: Base-Base interactions energy: -1064.397 where: short stacking energy: -456.051 Base-Backbone interact. energy: -2.950 local terms energy: -506.261765 where: bonds (distance) C4'-P energy: -81.539 bonds (distance) P-C4' energy: -108.801 flat angles C4'-P-C4' energy: -105.020 flat angles P-C4'-P energy: -67.442 tors. eta vs tors. theta energy: -143.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1450.551943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.551943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.551943 (E_RNA) where: Base-Base interactions energy: -987.195 where: short stacking energy: -425.838 Base-Backbone interact. energy: -3.770 local terms energy: -459.587276 where: bonds (distance) C4'-P energy: -78.976 bonds (distance) P-C4' energy: -97.020 flat angles C4'-P-C4' energy: -90.535 flat angles P-C4'-P energy: -65.797 tors. eta vs tors. theta energy: -127.260 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: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1278.390405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.390405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.390405 (E_RNA) where: Base-Base interactions energy: -863.189 where: short stacking energy: -364.235 Base-Backbone interact. energy: 2.557 local terms energy: -417.758170 where: bonds (distance) C4'-P energy: -80.142 bonds (distance) P-C4' energy: -75.915 flat angles C4'-P-C4' energy: -93.051 flat angles P-C4'-P energy: -68.798 tors. eta vs tors. theta energy: -99.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1125.762535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.762535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.762535 (E_RNA) where: Base-Base interactions energy: -725.314 where: short stacking energy: -323.471 Base-Backbone interact. energy: -5.360 local terms energy: -395.088206 where: bonds (distance) C4'-P energy: -80.688 bonds (distance) P-C4' energy: -75.499 flat angles C4'-P-C4' energy: -92.358 flat angles P-C4'-P energy: -62.049 tors. eta vs tors. theta energy: -84.494 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: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -928.642575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.642575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.642575 (E_RNA) where: Base-Base interactions energy: -581.757 where: short stacking energy: -273.107 Base-Backbone interact. energy: -0.763 local terms energy: -346.122028 where: bonds (distance) C4'-P energy: -85.211 bonds (distance) P-C4' energy: -88.462 flat angles C4'-P-C4' energy: -74.364 flat angles P-C4'-P energy: -41.141 tors. eta vs tors. theta energy: -56.945 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: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -836.377812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.377812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.377812 (E_RNA) where: Base-Base interactions energy: -502.531 where: short stacking energy: -241.892 Base-Backbone interact. energy: -0.936 local terms energy: -332.911114 where: bonds (distance) C4'-P energy: -64.577 bonds (distance) P-C4' energy: -86.420 flat angles C4'-P-C4' energy: -73.704 flat angles P-C4'-P energy: -67.021 tors. eta vs tors. theta energy: -41.189 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: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -769.108190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.108190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.108190 (E_RNA) where: Base-Base interactions energy: -448.512 where: short stacking energy: -205.796 Base-Backbone interact. energy: -2.199 local terms energy: -318.397739 where: bonds (distance) C4'-P energy: -74.421 bonds (distance) P-C4' energy: -85.127 flat angles C4'-P-C4' energy: -67.359 flat angles P-C4'-P energy: -53.286 tors. eta vs tors. theta energy: -38.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -541.521962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.521962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.521962 (E_RNA) where: Base-Base interactions energy: -274.495 where: short stacking energy: -142.989 Base-Backbone interact. energy: 1.806 local terms energy: -268.832662 where: bonds (distance) C4'-P energy: -61.587 bonds (distance) P-C4' energy: -86.084 flat angles C4'-P-C4' energy: -83.646 flat angles P-C4'-P energy: -48.149 tors. eta vs tors. theta energy: 10.634 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: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -560.775346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.775346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.775346 (E_RNA) where: Base-Base interactions energy: -294.778 where: short stacking energy: -154.417 Base-Backbone interact. energy: -0.727 local terms energy: -265.270601 where: bonds (distance) C4'-P energy: -71.754 bonds (distance) P-C4' energy: -75.539 flat angles C4'-P-C4' energy: -70.422 flat angles P-C4'-P energy: -40.404 tors. eta vs tors. theta energy: -7.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1571.852018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.852018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.852018 (E_RNA) where: Base-Base interactions energy: -1069.090 where: short stacking energy: -441.254 Base-Backbone interact. energy: -1.835 local terms energy: -500.926593 where: bonds (distance) C4'-P energy: -95.056 bonds (distance) P-C4' energy: -98.238 flat angles C4'-P-C4' energy: -101.791 flat angles P-C4'-P energy: -70.693 tors. eta vs tors. theta energy: -135.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1536.738215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.738215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.738215 (E_RNA) where: Base-Base interactions energy: -1052.987 where: short stacking energy: -427.687 Base-Backbone interact. energy: -4.822 local terms energy: -478.928956 where: bonds (distance) C4'-P energy: -82.084 bonds (distance) P-C4' energy: -86.267 flat angles C4'-P-C4' energy: -103.591 flat angles P-C4'-P energy: -72.784 tors. eta vs tors. theta energy: -134.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1437.127789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.127789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.127789 (E_RNA) where: Base-Base interactions energy: -969.373 where: short stacking energy: -396.423 Base-Backbone interact. energy: -1.554 local terms energy: -466.200875 where: bonds (distance) C4'-P energy: -81.440 bonds (distance) P-C4' energy: -95.566 flat angles C4'-P-C4' energy: -108.188 flat angles P-C4'-P energy: -58.380 tors. eta vs tors. theta energy: -122.626 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: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1314.305250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.305250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.305250 (E_RNA) where: Base-Base interactions energy: -884.801 where: short stacking energy: -375.007 Base-Backbone interact. energy: -2.633 local terms energy: -426.871327 where: bonds (distance) C4'-P energy: -82.301 bonds (distance) P-C4' energy: -89.975 flat angles C4'-P-C4' energy: -90.333 flat angles P-C4'-P energy: -56.157 tors. eta vs tors. theta energy: -108.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1202.936873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.936873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.936873 (E_RNA) where: Base-Base interactions energy: -799.736 where: short stacking energy: -330.193 Base-Backbone interact. energy: -1.916 local terms energy: -401.285525 where: bonds (distance) C4'-P energy: -81.778 bonds (distance) P-C4' energy: -86.544 flat angles C4'-P-C4' energy: -87.788 flat angles P-C4'-P energy: -66.190 tors. eta vs tors. theta energy: -78.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -994.811508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.811508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.811508 (E_RNA) where: Base-Base interactions energy: -638.650 where: short stacking energy: -295.858 Base-Backbone interact. energy: 0.338 local terms energy: -356.499673 where: bonds (distance) C4'-P energy: -84.678 bonds (distance) P-C4' energy: -78.694 flat angles C4'-P-C4' energy: -74.743 flat angles P-C4'-P energy: -57.808 tors. eta vs tors. theta energy: -60.577 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: 7, replica: 1 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -822.069129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.069129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.069129 (E_RNA) where: Base-Base interactions energy: -493.602 where: short stacking energy: -221.858 Base-Backbone interact. energy: -3.833 local terms energy: -324.634194 where: bonds (distance) C4'-P energy: -70.587 bonds (distance) P-C4' energy: -84.606 flat angles C4'-P-C4' energy: -75.778 flat angles P-C4'-P energy: -52.582 tors. eta vs tors. theta energy: -41.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -733.688701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.688701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.688701 (E_RNA) where: Base-Base interactions energy: -419.481 where: short stacking energy: -197.304 Base-Backbone interact. energy: 1.664 local terms energy: -315.871952 where: bonds (distance) C4'-P energy: -84.033 bonds (distance) P-C4' energy: -88.416 flat angles C4'-P-C4' energy: -82.996 flat angles P-C4'-P energy: -40.378 tors. eta vs tors. theta energy: -20.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -540.891523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.891523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.891523 (E_RNA) where: Base-Base interactions energy: -274.411 where: short stacking energy: -133.985 Base-Backbone interact. energy: 1.852 local terms energy: -268.332387 where: bonds (distance) C4'-P energy: -88.570 bonds (distance) P-C4' energy: -76.188 flat angles C4'-P-C4' energy: -76.638 flat angles P-C4'-P energy: -30.707 tors. eta vs tors. theta energy: 3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -530.781014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.781014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.781014 (E_RNA) where: Base-Base interactions energy: -257.791 where: short stacking energy: -156.903 Base-Backbone interact. energy: -0.234 local terms energy: -272.756238 where: bonds (distance) C4'-P energy: -55.221 bonds (distance) P-C4' energy: -77.493 flat angles C4'-P-C4' energy: -91.453 flat angles P-C4'-P energy: -33.844 tors. eta vs tors. theta energy: -14.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1571.849494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.849494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.849494 (E_RNA) where: Base-Base interactions energy: -1092.755 where: short stacking energy: -462.333 Base-Backbone interact. energy: -2.157 local terms energy: -476.937344 where: bonds (distance) C4'-P energy: -94.709 bonds (distance) P-C4' energy: -77.293 flat angles C4'-P-C4' energy: -105.791 flat angles P-C4'-P energy: -68.893 tors. eta vs tors. theta energy: -130.251 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: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1513.510800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.510800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.510800 (E_RNA) where: Base-Base interactions energy: -1026.169 where: short stacking energy: -411.220 Base-Backbone interact. energy: 0.647 local terms energy: -487.989196 where: bonds (distance) C4'-P energy: -97.041 bonds (distance) P-C4' energy: -89.404 flat angles C4'-P-C4' energy: -96.022 flat angles P-C4'-P energy: -78.254 tors. eta vs tors. theta energy: -127.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1456.793420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.793420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.793420 (E_RNA) where: Base-Base interactions energy: -1003.458 where: short stacking energy: -400.336 Base-Backbone interact. energy: -3.356 local terms energy: -449.979359 where: bonds (distance) C4'-P energy: -83.486 bonds (distance) P-C4' energy: -91.455 flat angles C4'-P-C4' energy: -89.527 flat angles P-C4'-P energy: -63.066 tors. eta vs tors. theta energy: -122.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1276.355948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.355948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.355948 (E_RNA) where: Base-Base interactions energy: -846.774 where: short stacking energy: -359.714 Base-Backbone interact. energy: -1.677 local terms energy: -427.904859 where: bonds (distance) C4'-P energy: -85.730 bonds (distance) P-C4' energy: -90.642 flat angles C4'-P-C4' energy: -101.400 flat angles P-C4'-P energy: -54.517 tors. eta vs tors. theta energy: -95.616 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: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1166.307451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.307451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.307451 (E_RNA) where: Base-Base interactions energy: -754.120 where: short stacking energy: -310.860 Base-Backbone interact. energy: -3.664 local terms energy: -408.523555 where: bonds (distance) C4'-P energy: -87.941 bonds (distance) P-C4' energy: -76.337 flat angles C4'-P-C4' energy: -91.260 flat angles P-C4'-P energy: -67.119 tors. eta vs tors. theta energy: -85.867 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: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1013.426195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.426195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.426195 (E_RNA) where: Base-Base interactions energy: -638.445 where: short stacking energy: -271.353 Base-Backbone interact. energy: -1.341 local terms energy: -373.640263 where: bonds (distance) C4'-P energy: -80.153 bonds (distance) P-C4' energy: -85.429 flat angles C4'-P-C4' energy: -83.223 flat angles P-C4'-P energy: -66.963 tors. eta vs tors. theta energy: -57.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -793.505428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.505428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.505428 (E_RNA) where: Base-Base interactions energy: -452.401 where: short stacking energy: -214.851 Base-Backbone interact. energy: -1.352 local terms energy: -339.752677 where: bonds (distance) C4'-P energy: -72.882 bonds (distance) P-C4' energy: -80.557 flat angles C4'-P-C4' energy: -76.263 flat angles P-C4'-P energy: -58.569 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: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -702.989452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.989452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.989452 (E_RNA) where: Base-Base interactions energy: -421.296 where: short stacking energy: -203.384 Base-Backbone interact. energy: 0.557 local terms energy: -282.250597 where: bonds (distance) C4'-P energy: -64.375 bonds (distance) P-C4' energy: -70.494 flat angles C4'-P-C4' energy: -73.861 flat angles P-C4'-P energy: -40.121 tors. eta vs tors. theta energy: -33.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -598.088659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.088659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.088659 (E_RNA) where: Base-Base interactions energy: -325.449 where: short stacking energy: -158.751 Base-Backbone interact. energy: 0.902 local terms energy: -273.541644 where: bonds (distance) C4'-P energy: -65.824 bonds (distance) P-C4' energy: -80.004 flat angles C4'-P-C4' energy: -79.071 flat angles P-C4'-P energy: -33.552 tors. eta vs tors. theta energy: -15.091 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: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -514.239047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.239047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.239047 (E_RNA) where: Base-Base interactions energy: -235.338 where: short stacking energy: -132.201 Base-Backbone interact. energy: 0.574 local terms energy: -279.474607 where: bonds (distance) C4'-P energy: -82.758 bonds (distance) P-C4' energy: -90.025 flat angles C4'-P-C4' energy: -63.791 flat angles P-C4'-P energy: -43.077 tors. eta vs tors. theta energy: 0.177 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: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1570.490296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.490296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.490296 (E_RNA) where: Base-Base interactions energy: -1087.233 where: short stacking energy: -444.037 Base-Backbone interact. energy: -0.068 local terms energy: -483.189197 where: bonds (distance) C4'-P energy: -94.709 bonds (distance) P-C4' energy: -88.921 flat angles C4'-P-C4' energy: -105.175 flat angles P-C4'-P energy: -66.805 tors. eta vs tors. theta energy: -127.579 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: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1527.698630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.698630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.698630 (E_RNA) where: Base-Base interactions energy: -1063.355 where: short stacking energy: -434.088 Base-Backbone interact. energy: -3.279 local terms energy: -461.065164 where: bonds (distance) C4'-P energy: -87.655 bonds (distance) P-C4' energy: -79.308 flat angles C4'-P-C4' energy: -88.744 flat angles P-C4'-P energy: -71.790 tors. eta vs tors. theta energy: -133.569 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: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1465.389205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.389205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.389205 (E_RNA) where: Base-Base interactions energy: -992.589 where: short stacking energy: -418.312 Base-Backbone interact. energy: -1.848 local terms energy: -470.951860 where: bonds (distance) C4'-P energy: -92.621 bonds (distance) P-C4' energy: -84.154 flat angles C4'-P-C4' energy: -94.432 flat angles P-C4'-P energy: -71.038 tors. eta vs tors. theta energy: -128.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1236.451662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.451662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.451662 (E_RNA) where: Base-Base interactions energy: -820.355 where: short stacking energy: -358.873 Base-Backbone interact. energy: -1.462 local terms energy: -414.635277 where: bonds (distance) C4'-P energy: -97.905 bonds (distance) P-C4' energy: -78.445 flat angles C4'-P-C4' energy: -87.582 flat angles P-C4'-P energy: -51.261 tors. eta vs tors. theta energy: -99.442 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: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1221.648535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.648535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.648535 (E_RNA) where: Base-Base interactions energy: -828.336 where: short stacking energy: -366.142 Base-Backbone interact. energy: 0.732 local terms energy: -394.044587 where: bonds (distance) C4'-P energy: -69.054 bonds (distance) P-C4' energy: -83.729 flat angles C4'-P-C4' energy: -90.176 flat angles P-C4'-P energy: -54.434 tors. eta vs tors. theta energy: -96.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -992.247561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.247561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.247561 (E_RNA) where: Base-Base interactions energy: -618.565 where: short stacking energy: -277.907 Base-Backbone interact. energy: -0.695 local terms energy: -372.987637 where: bonds (distance) C4'-P energy: -83.283 bonds (distance) P-C4' energy: -78.499 flat angles C4'-P-C4' energy: -85.789 flat angles P-C4'-P energy: -55.988 tors. eta vs tors. theta energy: -69.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -759.758825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.758825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.758825 (E_RNA) where: Base-Base interactions energy: -449.260 where: short stacking energy: -233.398 Base-Backbone interact. energy: 1.750 local terms energy: -312.248694 where: bonds (distance) C4'-P energy: -68.983 bonds (distance) P-C4' energy: -84.833 flat angles C4'-P-C4' energy: -80.198 flat angles P-C4'-P energy: -49.623 tors. eta vs tors. theta energy: -28.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -664.682721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.682721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.682721 (E_RNA) where: Base-Base interactions energy: -357.256 where: short stacking energy: -174.358 Base-Backbone interact. energy: -5.203 local terms energy: -302.223704 where: bonds (distance) C4'-P energy: -82.735 bonds (distance) P-C4' energy: -68.869 flat angles C4'-P-C4' energy: -79.402 flat angles P-C4'-P energy: -47.827 tors. eta vs tors. theta energy: -23.390 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: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -668.276714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.276714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.276714 (E_RNA) where: Base-Base interactions energy: -382.427 where: short stacking energy: -186.566 Base-Backbone interact. energy: 2.821 local terms energy: -288.670810 where: bonds (distance) C4'-P energy: -77.582 bonds (distance) P-C4' energy: -59.720 flat angles C4'-P-C4' energy: -75.818 flat angles P-C4'-P energy: -44.106 tors. eta vs tors. theta energy: -31.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -526.219614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.219614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.219614 (E_RNA) where: Base-Base interactions energy: -288.406 where: short stacking energy: -128.130 Base-Backbone interact. energy: 0.608 local terms energy: -238.421960 where: bonds (distance) C4'-P energy: -71.181 bonds (distance) P-C4' energy: -71.340 flat angles C4'-P-C4' energy: -66.743 flat angles P-C4'-P energy: -38.273 tors. eta vs tors. theta energy: 9.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1571.423815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.423815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.423815 (E_RNA) where: Base-Base interactions energy: -1077.062 where: short stacking energy: -448.318 Base-Backbone interact. energy: -0.697 local terms energy: -493.664773 where: bonds (distance) C4'-P energy: -91.449 bonds (distance) P-C4' energy: -85.998 flat angles C4'-P-C4' energy: -111.168 flat angles P-C4'-P energy: -72.743 tors. eta vs tors. theta energy: -132.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1513.979925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.979925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.979925 (E_RNA) where: Base-Base interactions energy: -1037.133 where: short stacking energy: -416.912 Base-Backbone interact. energy: -1.036 local terms energy: -475.810769 where: bonds (distance) C4'-P energy: -85.668 bonds (distance) P-C4' energy: -91.374 flat angles C4'-P-C4' energy: -101.050 flat angles P-C4'-P energy: -67.563 tors. eta vs tors. theta energy: -130.156 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: 8 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1476.758732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.758732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.758732 (E_RNA) where: Base-Base interactions energy: -994.242 where: short stacking energy: -409.060 Base-Backbone interact. energy: -4.256 local terms energy: -478.260705 where: bonds (distance) C4'-P energy: -85.333 bonds (distance) P-C4' energy: -95.846 flat angles C4'-P-C4' energy: -99.231 flat angles P-C4'-P energy: -78.425 tors. eta vs tors. theta energy: -119.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1239.013688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.013688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.013688 (E_RNA) where: Base-Base interactions energy: -829.992 where: short stacking energy: -348.399 Base-Backbone interact. energy: -3.690 local terms energy: -405.331876 where: bonds (distance) C4'-P energy: -89.581 bonds (distance) P-C4' energy: -84.052 flat angles C4'-P-C4' energy: -84.557 flat angles P-C4'-P energy: -62.142 tors. eta vs tors. theta energy: -85.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1256.226799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.226799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.226799 (E_RNA) where: Base-Base interactions energy: -837.749 where: short stacking energy: -359.773 Base-Backbone interact. energy: -0.561 local terms energy: -417.917568 where: bonds (distance) C4'-P energy: -75.631 bonds (distance) P-C4' energy: -88.301 flat angles C4'-P-C4' energy: -96.064 flat angles P-C4'-P energy: -55.833 tors. eta vs tors. theta energy: -102.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -991.007579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.007579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.007579 (E_RNA) where: Base-Base interactions energy: -678.541 where: short stacking energy: -296.494 Base-Backbone interact. energy: 8.571 local terms energy: -321.037373 where: bonds (distance) C4'-P energy: -61.555 bonds (distance) P-C4' energy: -79.293 flat angles C4'-P-C4' energy: -78.063 flat angles P-C4'-P energy: -43.063 tors. eta vs tors. theta energy: -59.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -725.647664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.647664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.647664 (E_RNA) where: Base-Base interactions energy: -419.838 where: short stacking energy: -199.400 Base-Backbone interact. energy: -0.191 local terms energy: -305.618820 where: bonds (distance) C4'-P energy: -71.949 bonds (distance) P-C4' energy: -67.212 flat angles C4'-P-C4' energy: -76.507 flat angles P-C4'-P energy: -48.320 tors. eta vs tors. theta energy: -41.631 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: 8, replica: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -629.314648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.314648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.314648 (E_RNA) where: Base-Base interactions energy: -329.729 where: short stacking energy: -180.831 Base-Backbone interact. energy: 1.049 local terms energy: -300.635081 where: bonds (distance) C4'-P energy: -83.243 bonds (distance) P-C4' energy: -86.946 flat angles C4'-P-C4' energy: -66.564 flat angles P-C4'-P energy: -41.091 tors. eta vs tors. theta energy: -22.791 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: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -648.940977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.940977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.940977 (E_RNA) where: Base-Base interactions energy: -402.387 where: short stacking energy: -187.725 Base-Backbone interact. energy: 2.359 local terms energy: -248.912472 where: bonds (distance) C4'-P energy: -70.085 bonds (distance) P-C4' energy: -73.226 flat angles C4'-P-C4' energy: -60.864 flat angles P-C4'-P energy: -39.445 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -514.923001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.923001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.923001 (E_RNA) where: Base-Base interactions energy: -270.537 where: short stacking energy: -154.002 Base-Backbone interact. energy: 1.433 local terms energy: -245.819031 where: bonds (distance) C4'-P energy: -71.657 bonds (distance) P-C4' energy: -75.566 flat angles C4'-P-C4' energy: -74.526 flat angles P-C4'-P energy: -17.459 tors. eta vs tors. theta energy: -6.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1581.224117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.224117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.224117 (E_RNA) where: Base-Base interactions energy: -1084.891 where: short stacking energy: -447.590 Base-Backbone interact. energy: -3.715 local terms energy: -492.618023 where: bonds (distance) C4'-P energy: -96.905 bonds (distance) P-C4' energy: -93.701 flat angles C4'-P-C4' energy: -106.654 flat angles P-C4'-P energy: -68.683 tors. eta vs tors. theta energy: -126.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1504.834571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.834571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.834571 (E_RNA) where: Base-Base interactions energy: -1029.525 where: short stacking energy: -414.415 Base-Backbone interact. energy: -2.727 local terms energy: -472.582725 where: bonds (distance) C4'-P energy: -70.960 bonds (distance) P-C4' energy: -96.980 flat angles C4'-P-C4' energy: -103.028 flat angles P-C4'-P energy: -70.843 tors. eta vs tors. theta energy: -130.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1480.866628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.866628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.866628 (E_RNA) where: Base-Base interactions energy: -1013.686 where: short stacking energy: -436.832 Base-Backbone interact. energy: 2.717 local terms energy: -469.897214 where: bonds (distance) C4'-P energy: -77.769 bonds (distance) P-C4' energy: -91.635 flat angles C4'-P-C4' energy: -101.624 flat angles P-C4'-P energy: -75.444 tors. eta vs tors. theta energy: -123.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1293.689156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.689156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.689156 (E_RNA) where: Base-Base interactions energy: -880.844 where: short stacking energy: -375.524 Base-Backbone interact. energy: -2.135 local terms energy: -410.710543 where: bonds (distance) C4'-P energy: -64.681 bonds (distance) P-C4' energy: -76.084 flat angles C4'-P-C4' energy: -97.919 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -108.085 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: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1241.821653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.821653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.821653 (E_RNA) where: Base-Base interactions energy: -824.999 where: short stacking energy: -335.664 Base-Backbone interact. energy: -3.680 local terms energy: -413.142628 where: bonds (distance) C4'-P energy: -73.992 bonds (distance) P-C4' energy: -97.542 flat angles C4'-P-C4' energy: -87.973 flat angles P-C4'-P energy: -53.823 tors. eta vs tors. theta energy: -99.812 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: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -967.165984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.165984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.165984 (E_RNA) where: Base-Base interactions energy: -615.582 where: short stacking energy: -288.764 Base-Backbone interact. energy: 2.647 local terms energy: -354.231602 where: bonds (distance) C4'-P energy: -78.593 bonds (distance) P-C4' energy: -84.823 flat angles C4'-P-C4' energy: -78.460 flat angles P-C4'-P energy: -51.401 tors. eta vs tors. theta energy: -60.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -865.663309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.663309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.663309 (E_RNA) where: Base-Base interactions energy: -526.306 where: short stacking energy: -258.104 Base-Backbone interact. energy: -0.616 local terms energy: -338.742223 where: bonds (distance) C4'-P energy: -76.738 bonds (distance) P-C4' energy: -75.667 flat angles C4'-P-C4' energy: -77.961 flat angles P-C4'-P energy: -49.459 tors. eta vs tors. theta energy: -58.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -698.870421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.870421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.870421 (E_RNA) where: Base-Base interactions energy: -417.450 where: short stacking energy: -190.903 Base-Backbone interact. energy: 2.222 local terms energy: -283.642825 where: bonds (distance) C4'-P energy: -66.112 bonds (distance) P-C4' energy: -82.938 flat angles C4'-P-C4' energy: -78.721 flat angles P-C4'-P energy: -42.495 tors. eta vs tors. theta energy: -13.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -592.469650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.469650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.469650 (E_RNA) where: Base-Base interactions energy: -315.743 where: short stacking energy: -187.274 Base-Backbone interact. energy: -1.044 local terms energy: -275.682103 where: bonds (distance) C4'-P energy: -79.068 bonds (distance) P-C4' energy: -68.976 flat angles C4'-P-C4' energy: -65.975 flat angles P-C4'-P energy: -33.873 tors. eta vs tors. theta energy: -27.791 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: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -530.548642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.548642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.548642 (E_RNA) where: Base-Base interactions energy: -263.959 where: short stacking energy: -140.709 Base-Backbone interact. energy: -0.514 local terms energy: -266.075698 where: bonds (distance) C4'-P energy: -70.791 bonds (distance) P-C4' energy: -85.446 flat angles C4'-P-C4' energy: -55.381 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -4.655 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: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1573.294240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.294240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.294240 (E_RNA) where: Base-Base interactions energy: -1067.589 where: short stacking energy: -448.926 Base-Backbone interact. energy: -1.053 local terms energy: -504.652076 where: bonds (distance) C4'-P energy: -89.751 bonds (distance) P-C4' energy: -100.785 flat angles C4'-P-C4' energy: -105.216 flat angles P-C4'-P energy: -69.671 tors. eta vs tors. theta energy: -139.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1510.907398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.907398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.907398 (E_RNA) where: Base-Base interactions energy: -1038.235 where: short stacking energy: -430.934 Base-Backbone interact. energy: -2.303 local terms energy: -470.369102 where: bonds (distance) C4'-P energy: -83.343 bonds (distance) P-C4' energy: -85.578 flat angles C4'-P-C4' energy: -105.619 flat angles P-C4'-P energy: -62.640 tors. eta vs tors. theta energy: -133.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1491.465861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.465861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.465861 (E_RNA) where: Base-Base interactions energy: -1009.891 where: short stacking energy: -415.828 Base-Backbone interact. energy: -1.213 local terms energy: -480.361978 where: bonds (distance) C4'-P energy: -84.639 bonds (distance) P-C4' energy: -96.827 flat angles C4'-P-C4' energy: -102.745 flat angles P-C4'-P energy: -73.908 tors. eta vs tors. theta energy: -122.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1357.925624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.925624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.925624 (E_RNA) where: Base-Base interactions energy: -926.140 where: short stacking energy: -369.933 Base-Backbone interact. energy: -2.513 local terms energy: -429.272729 where: bonds (distance) C4'-P energy: -86.071 bonds (distance) P-C4' energy: -69.941 flat angles C4'-P-C4' energy: -96.444 flat angles P-C4'-P energy: -74.498 tors. eta vs tors. theta energy: -102.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1292.773299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.773299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.773299 (E_RNA) where: Base-Base interactions energy: -875.797 where: short stacking energy: -365.006 Base-Backbone interact. energy: -4.031 local terms energy: -412.945509 where: bonds (distance) C4'-P energy: -78.097 bonds (distance) P-C4' energy: -70.211 flat angles C4'-P-C4' energy: -97.278 flat angles P-C4'-P energy: -66.422 tors. eta vs tors. theta energy: -100.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -966.611478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.611478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.611478 (E_RNA) where: Base-Base interactions energy: -613.949 where: short stacking energy: -284.127 Base-Backbone interact. energy: -1.767 local terms energy: -350.895510 where: bonds (distance) C4'-P energy: -70.841 bonds (distance) P-C4' energy: -81.046 flat angles C4'-P-C4' energy: -89.275 flat angles P-C4'-P energy: -46.604 tors. eta vs tors. theta energy: -63.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -864.322812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.322812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.322812 (E_RNA) where: Base-Base interactions energy: -551.857 where: short stacking energy: -248.993 Base-Backbone interact. energy: -1.720 local terms energy: -310.745380 where: bonds (distance) C4'-P energy: -76.976 bonds (distance) P-C4' energy: -71.867 flat angles C4'-P-C4' energy: -75.074 flat angles P-C4'-P energy: -38.531 tors. eta vs tors. theta energy: -48.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -674.343424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.343424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.343424 (E_RNA) where: Base-Base interactions energy: -378.456 where: short stacking energy: -182.663 Base-Backbone interact. energy: -0.013 local terms energy: -295.873852 where: bonds (distance) C4'-P energy: -82.003 bonds (distance) P-C4' energy: -87.321 flat angles C4'-P-C4' energy: -71.539 flat angles P-C4'-P energy: -34.674 tors. eta vs tors. theta energy: -20.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -569.688591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.688591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.688591 (E_RNA) where: Base-Base interactions energy: -290.680 where: short stacking energy: -167.148 Base-Backbone interact. energy: -0.926 local terms energy: -278.083234 where: bonds (distance) C4'-P energy: -71.291 bonds (distance) P-C4' energy: -87.304 flat angles C4'-P-C4' energy: -76.642 flat angles P-C4'-P energy: -39.163 tors. eta vs tors. theta energy: -3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -555.122498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.122498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.122498 (E_RNA) where: Base-Base interactions energy: -264.898 where: short stacking energy: -142.801 Base-Backbone interact. energy: 1.418 local terms energy: -291.642368 where: bonds (distance) C4'-P energy: -74.196 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -79.973 flat angles P-C4'-P energy: -41.739 tors. eta vs tors. theta energy: -19.122 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: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1584.815730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.815730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.815730 (E_RNA) where: Base-Base interactions energy: -1093.836 where: short stacking energy: -443.999 Base-Backbone interact. energy: -2.187 local terms energy: -488.793400 where: bonds (distance) C4'-P energy: -89.308 bonds (distance) P-C4' energy: -99.835 flat angles C4'-P-C4' energy: -102.770 flat angles P-C4'-P energy: -65.623 tors. eta vs tors. theta energy: -131.258 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: 2, replica: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1506.384157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.384157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.384157 (E_RNA) where: Base-Base interactions energy: -1035.874 where: short stacking energy: -432.327 Base-Backbone interact. energy: -2.440 local terms energy: -468.070463 where: bonds (distance) C4'-P energy: -84.815 bonds (distance) P-C4' energy: -78.959 flat angles C4'-P-C4' energy: -102.727 flat angles P-C4'-P energy: -71.929 tors. eta vs tors. theta energy: -129.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1467.683428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.683428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.683428 (E_RNA) where: Base-Base interactions energy: -1024.551 where: short stacking energy: -405.511 Base-Backbone interact. energy: -1.638 local terms energy: -441.494864 where: bonds (distance) C4'-P energy: -71.364 bonds (distance) P-C4' energy: -89.954 flat angles C4'-P-C4' energy: -96.772 flat angles P-C4'-P energy: -58.752 tors. eta vs tors. theta energy: -124.653 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: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1341.431355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.431355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.431355 (E_RNA) where: Base-Base interactions energy: -893.129 where: short stacking energy: -361.872 Base-Backbone interact. energy: -4.065 local terms energy: -444.238084 where: bonds (distance) C4'-P energy: -92.118 bonds (distance) P-C4' energy: -94.203 flat angles C4'-P-C4' energy: -89.286 flat angles P-C4'-P energy: -59.561 tors. eta vs tors. theta energy: -109.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1281.239025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.239025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.239025 (E_RNA) where: Base-Base interactions energy: -857.754 where: short stacking energy: -358.472 Base-Backbone interact. energy: -2.633 local terms energy: -420.851973 where: bonds (distance) C4'-P energy: -87.933 bonds (distance) P-C4' energy: -75.142 flat angles C4'-P-C4' energy: -84.141 flat angles P-C4'-P energy: -67.003 tors. eta vs tors. theta energy: -106.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -955.376179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.376179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.376179 (E_RNA) where: Base-Base interactions energy: -589.177 where: short stacking energy: -283.186 Base-Backbone interact. energy: -1.355 local terms energy: -364.843600 where: bonds (distance) C4'-P energy: -79.537 bonds (distance) P-C4' energy: -84.523 flat angles C4'-P-C4' energy: -87.750 flat angles P-C4'-P energy: -46.630 tors. eta vs tors. theta energy: -66.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -887.419192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.419192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.419192 (E_RNA) where: Base-Base interactions energy: -530.409 where: short stacking energy: -261.773 Base-Backbone interact. energy: 1.484 local terms energy: -358.493964 where: bonds (distance) C4'-P energy: -77.038 bonds (distance) P-C4' energy: -81.655 flat angles C4'-P-C4' energy: -81.933 flat angles P-C4'-P energy: -54.978 tors. eta vs tors. theta energy: -62.890 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: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -622.585816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.585816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.585816 (E_RNA) where: Base-Base interactions energy: -334.577 where: short stacking energy: -174.874 Base-Backbone interact. energy: -1.344 local terms energy: -286.665132 where: bonds (distance) C4'-P energy: -79.936 bonds (distance) P-C4' energy: -72.493 flat angles C4'-P-C4' energy: -75.795 flat angles P-C4'-P energy: -39.032 tors. eta vs tors. theta energy: -19.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -570.142838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.142838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.142838 (E_RNA) where: Base-Base interactions energy: -276.708 where: short stacking energy: -152.610 Base-Backbone interact. energy: 4.623 local terms energy: -298.058099 where: bonds (distance) C4'-P energy: -68.816 bonds (distance) P-C4' energy: -88.904 flat angles C4'-P-C4' energy: -79.795 flat angles P-C4'-P energy: -39.329 tors. eta vs tors. theta energy: -21.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -565.249201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.249201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.249201 (E_RNA) where: Base-Base interactions energy: -269.430 where: short stacking energy: -132.909 Base-Backbone interact. energy: -1.689 local terms energy: -294.129867 where: bonds (distance) C4'-P energy: -84.871 bonds (distance) P-C4' energy: -80.780 flat angles C4'-P-C4' energy: -68.950 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: -11.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1589.137555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.137555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.137555 (E_RNA) where: Base-Base interactions energy: -1076.440 where: short stacking energy: -448.926 Base-Backbone interact. energy: -1.946 local terms energy: -510.751190 where: bonds (distance) C4'-P energy: -106.043 bonds (distance) P-C4' energy: -102.037 flat angles C4'-P-C4' energy: -105.920 flat angles P-C4'-P energy: -63.625 tors. eta vs tors. theta energy: -133.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1526.656979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.656979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.656979 (E_RNA) where: Base-Base interactions energy: -1039.962 where: short stacking energy: -418.399 Base-Backbone interact. energy: -2.135 local terms energy: -484.559843 where: bonds (distance) C4'-P energy: -85.962 bonds (distance) P-C4' energy: -96.036 flat angles C4'-P-C4' energy: -102.564 flat angles P-C4'-P energy: -71.992 tors. eta vs tors. theta energy: -128.006 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: 3, replica: 8 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1451.308882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.308882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.308882 (E_RNA) where: Base-Base interactions energy: -990.328 where: short stacking energy: -401.522 Base-Backbone interact. energy: -1.068 local terms energy: -459.912989 where: bonds (distance) C4'-P energy: -86.933 bonds (distance) P-C4' energy: -91.724 flat angles C4'-P-C4' energy: -88.271 flat angles P-C4'-P energy: -63.479 tors. eta vs tors. theta energy: -129.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1337.487561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.487561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.487561 (E_RNA) where: Base-Base interactions energy: -903.112 where: short stacking energy: -385.357 Base-Backbone interact. energy: -3.240 local terms energy: -431.135936 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -79.154 flat angles C4'-P-C4' energy: -92.169 flat angles P-C4'-P energy: -58.915 tors. eta vs tors. theta energy: -113.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1322.414334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.414334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.414334 (E_RNA) where: Base-Base interactions energy: -901.458 where: short stacking energy: -386.468 Base-Backbone interact. energy: -2.370 local terms energy: -418.585839 where: bonds (distance) C4'-P energy: -84.480 bonds (distance) P-C4' energy: -85.189 flat angles C4'-P-C4' energy: -83.595 flat angles P-C4'-P energy: -45.421 tors. eta vs tors. theta energy: -119.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -932.781762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.781762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.781762 (E_RNA) where: Base-Base interactions energy: -567.841 where: short stacking energy: -259.006 Base-Backbone interact. energy: -0.161 local terms energy: -364.779994 where: bonds (distance) C4'-P energy: -82.475 bonds (distance) P-C4' energy: -85.917 flat angles C4'-P-C4' energy: -78.600 flat angles P-C4'-P energy: -59.440 tors. eta vs tors. theta energy: -58.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -825.872083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.872083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.872083 (E_RNA) where: Base-Base interactions energy: -476.487 where: short stacking energy: -230.282 Base-Backbone interact. energy: -1.750 local terms energy: -347.635537 where: bonds (distance) C4'-P energy: -83.842 bonds (distance) P-C4' energy: -91.351 flat angles C4'-P-C4' energy: -67.712 flat angles P-C4'-P energy: -62.531 tors. eta vs tors. theta energy: -42.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -652.711630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.711630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.711630 (E_RNA) where: Base-Base interactions energy: -356.374 where: short stacking energy: -182.591 Base-Backbone interact. energy: 2.483 local terms energy: -298.820733 where: bonds (distance) C4'-P energy: -81.857 bonds (distance) P-C4' energy: -80.223 flat angles C4'-P-C4' energy: -67.389 flat angles P-C4'-P energy: -41.660 tors. eta vs tors. theta energy: -27.692 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: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -599.455228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.455228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.455228 (E_RNA) where: Base-Base interactions energy: -310.813 where: short stacking energy: -155.005 Base-Backbone interact. energy: -1.358 local terms energy: -287.284305 where: bonds (distance) C4'-P energy: -71.452 bonds (distance) P-C4' energy: -92.304 flat angles C4'-P-C4' energy: -68.622 flat angles P-C4'-P energy: -47.400 tors. eta vs tors. theta energy: -7.506 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: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -570.874712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.874712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.874712 (E_RNA) where: Base-Base interactions energy: -309.845 where: short stacking energy: -162.276 Base-Backbone interact. energy: -0.429 local terms energy: -260.601039 where: bonds (distance) C4'-P energy: -69.138 bonds (distance) P-C4' energy: -78.438 flat angles C4'-P-C4' energy: -59.076 flat angles P-C4'-P energy: -40.628 tors. eta vs tors. theta energy: -13.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1610.004891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.004891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.004891 (E_RNA) where: Base-Base interactions energy: -1111.863 where: short stacking energy: -459.115 Base-Backbone interact. energy: -2.329 local terms energy: -495.813052 where: bonds (distance) C4'-P energy: -78.993 bonds (distance) P-C4' energy: -102.093 flat angles C4'-P-C4' energy: -107.362 flat angles P-C4'-P energy: -69.911 tors. eta vs tors. theta energy: -137.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1517.784046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.784046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.784046 (E_RNA) where: Base-Base interactions energy: -1035.553 where: short stacking energy: -430.317 Base-Backbone interact. energy: -3.200 local terms energy: -479.031199 where: bonds (distance) C4'-P energy: -77.219 bonds (distance) P-C4' energy: -86.486 flat angles C4'-P-C4' energy: -103.649 flat angles P-C4'-P energy: -67.736 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: 3, replica: 8 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1432.364504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.364504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.364504 (E_RNA) where: Base-Base interactions energy: -978.680 where: short stacking energy: -425.158 Base-Backbone interact. energy: -1.797 local terms energy: -451.887915 where: bonds (distance) C4'-P energy: -78.070 bonds (distance) P-C4' energy: -90.802 flat angles C4'-P-C4' energy: -102.175 flat angles P-C4'-P energy: -58.297 tors. eta vs tors. theta energy: -122.544 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: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1311.209667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.209667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.209667 (E_RNA) where: Base-Base interactions energy: -866.032 where: short stacking energy: -378.447 Base-Backbone interact. energy: -2.589 local terms energy: -442.588111 where: bonds (distance) C4'-P energy: -79.514 bonds (distance) P-C4' energy: -85.692 flat angles C4'-P-C4' energy: -99.245 flat angles P-C4'-P energy: -64.271 tors. eta vs tors. theta energy: -113.867 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: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1295.147732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.147732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.147732 (E_RNA) where: Base-Base interactions energy: -878.985 where: short stacking energy: -372.555 Base-Backbone interact. energy: -2.534 local terms energy: -413.628446 where: bonds (distance) C4'-P energy: -78.519 bonds (distance) P-C4' energy: -80.970 flat angles C4'-P-C4' energy: -88.101 flat angles P-C4'-P energy: -56.128 tors. eta vs tors. theta energy: -109.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -937.373589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.373589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.373589 (E_RNA) where: Base-Base interactions energy: -566.229 where: short stacking energy: -262.748 Base-Backbone interact. energy: -0.770 local terms energy: -370.374141 where: bonds (distance) C4'-P energy: -79.024 bonds (distance) P-C4' energy: -95.503 flat angles C4'-P-C4' energy: -92.147 flat angles P-C4'-P energy: -51.825 tors. eta vs tors. theta energy: -51.875 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: 165 Temperature: 1.200000 Total energy: -837.308626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.308626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.308626 (E_RNA) where: Base-Base interactions energy: -523.314 where: short stacking energy: -242.163 Base-Backbone interact. energy: -0.467 local terms energy: -313.527675 where: bonds (distance) C4'-P energy: -76.128 bonds (distance) P-C4' energy: -70.630 flat angles C4'-P-C4' energy: -83.215 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -36.432 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: 165 Temperature: 1.250000 Total energy: -635.318276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.318276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.318276 (E_RNA) where: Base-Base interactions energy: -347.957 where: short stacking energy: -189.776 Base-Backbone interact. energy: -0.011 local terms energy: -287.350701 where: bonds (distance) C4'-P energy: -80.775 bonds (distance) P-C4' energy: -81.483 flat angles C4'-P-C4' energy: -66.922 flat angles P-C4'-P energy: -42.773 tors. eta vs tors. theta energy: -15.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -546.744725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.744725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.744725 (E_RNA) where: Base-Base interactions energy: -277.271 where: short stacking energy: -145.499 Base-Backbone interact. energy: 0.263 local terms energy: -269.736577 where: bonds (distance) C4'-P energy: -78.725 bonds (distance) P-C4' energy: -82.855 flat angles C4'-P-C4' energy: -58.409 flat angles P-C4'-P energy: -35.874 tors. eta vs tors. theta energy: -13.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -550.808566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.808566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.808566 (E_RNA) where: Base-Base interactions energy: -296.369 where: short stacking energy: -157.799 Base-Backbone interact. energy: -1.010 local terms energy: -253.430009 where: bonds (distance) C4'-P energy: -77.249 bonds (distance) P-C4' energy: -70.174 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -29.852 tors. eta vs tors. theta energy: -9.513 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: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1594.387103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.387103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.387103 (E_RNA) where: Base-Base interactions energy: -1105.446 where: short stacking energy: -458.398 Base-Backbone interact. energy: -0.809 local terms energy: -488.132407 where: bonds (distance) C4'-P energy: -85.480 bonds (distance) P-C4' energy: -91.220 flat angles C4'-P-C4' energy: -103.718 flat angles P-C4'-P energy: -73.165 tors. eta vs tors. theta energy: -134.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1542.928380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.928380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.928380 (E_RNA) where: Base-Base interactions energy: -1050.729 where: short stacking energy: -432.063 Base-Backbone interact. energy: -2.630 local terms energy: -489.568780 where: bonds (distance) C4'-P energy: -91.932 bonds (distance) P-C4' energy: -97.474 flat angles C4'-P-C4' energy: -106.868 flat angles P-C4'-P energy: -58.292 tors. eta vs tors. theta energy: -135.003 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: 3, replica: 8 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1495.111523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.111523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.111523 (E_RNA) where: Base-Base interactions energy: -1015.162 where: short stacking energy: -433.174 Base-Backbone interact. energy: 0.126 local terms energy: -480.075512 where: bonds (distance) C4'-P energy: -89.247 bonds (distance) P-C4' energy: -94.087 flat angles C4'-P-C4' energy: -101.806 flat angles P-C4'-P energy: -73.383 tors. eta vs tors. theta energy: -121.552 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: 5 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1326.941794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.941794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.941794 (E_RNA) where: Base-Base interactions energy: -908.642 where: short stacking energy: -409.237 Base-Backbone interact. energy: -3.229 local terms energy: -415.071160 where: bonds (distance) C4'-P energy: -84.352 bonds (distance) P-C4' energy: -81.375 flat angles C4'-P-C4' energy: -94.887 flat angles P-C4'-P energy: -53.759 tors. eta vs tors. theta energy: -100.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1230.197179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.197179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.197179 (E_RNA) where: Base-Base interactions energy: -836.142 where: short stacking energy: -345.530 Base-Backbone interact. energy: -2.211 local terms energy: -391.844919 where: bonds (distance) C4'-P energy: -74.533 bonds (distance) P-C4' energy: -80.180 flat angles C4'-P-C4' energy: -89.279 flat angles P-C4'-P energy: -63.973 tors. eta vs tors. theta energy: -83.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -986.609059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.609059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.609059 (E_RNA) where: Base-Base interactions energy: -632.802 where: short stacking energy: -276.657 Base-Backbone interact. energy: 2.315 local terms energy: -356.121404 where: bonds (distance) C4'-P energy: -82.492 bonds (distance) P-C4' energy: -72.868 flat angles C4'-P-C4' energy: -90.091 flat angles P-C4'-P energy: -53.444 tors. eta vs tors. theta energy: -57.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -790.744048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.744048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.744048 (E_RNA) where: Base-Base interactions energy: -497.879 where: short stacking energy: -198.861 Base-Backbone interact. energy: 1.874 local terms energy: -294.739552 where: bonds (distance) C4'-P energy: -70.938 bonds (distance) P-C4' energy: -78.046 flat angles C4'-P-C4' energy: -70.588 flat angles P-C4'-P energy: -51.590 tors. eta vs tors. theta energy: -23.577 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: 166 Temperature: 1.250000 Total energy: -651.172077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.172077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.172077 (E_RNA) where: Base-Base interactions energy: -373.504 where: short stacking energy: -186.961 Base-Backbone interact. energy: 0.019 local terms energy: -277.687168 where: bonds (distance) C4'-P energy: -63.628 bonds (distance) P-C4' energy: -90.261 flat angles C4'-P-C4' energy: -84.014 flat angles P-C4'-P energy: -39.008 tors. eta vs tors. theta energy: -0.776 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: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -582.967172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.967172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.967172 (E_RNA) where: Base-Base interactions energy: -307.794 where: short stacking energy: -147.752 Base-Backbone interact. energy: 3.339 local terms energy: -278.512309 where: bonds (distance) C4'-P energy: -83.902 bonds (distance) P-C4' energy: -74.298 flat angles C4'-P-C4' energy: -71.486 flat angles P-C4'-P energy: -37.809 tors. eta vs tors. theta energy: -11.017 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: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -545.796091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.796091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.796091 (E_RNA) where: Base-Base interactions energy: -288.829 where: short stacking energy: -159.554 Base-Backbone interact. energy: 0.159 local terms energy: -257.126047 where: bonds (distance) C4'-P energy: -74.980 bonds (distance) P-C4' energy: -64.767 flat angles C4'-P-C4' energy: -77.408 flat angles P-C4'-P energy: -34.464 tors. eta vs tors. theta energy: -5.509 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: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1594.374189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.374189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.374189 (E_RNA) where: Base-Base interactions energy: -1102.213 where: short stacking energy: -461.524 Base-Backbone interact. energy: -2.449 local terms energy: -489.712756 where: bonds (distance) C4'-P energy: -94.251 bonds (distance) P-C4' energy: -90.409 flat angles C4'-P-C4' energy: -105.398 flat angles P-C4'-P energy: -69.893 tors. eta vs tors. theta energy: -129.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1504.289370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.289370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.289370 (E_RNA) where: Base-Base interactions energy: -1037.628 where: short stacking energy: -436.436 Base-Backbone interact. energy: -0.613 local terms energy: -466.047974 where: bonds (distance) C4'-P energy: -87.916 bonds (distance) P-C4' energy: -93.693 flat angles C4'-P-C4' energy: -98.566 flat angles P-C4'-P energy: -66.398 tors. eta vs tors. theta energy: -119.475 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: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1482.283990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.283990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.283990 (E_RNA) where: Base-Base interactions energy: -1028.782 where: short stacking energy: -429.887 Base-Backbone interact. energy: -0.856 local terms energy: -452.646552 where: bonds (distance) C4'-P energy: -69.864 bonds (distance) P-C4' energy: -81.073 flat angles C4'-P-C4' energy: -102.549 flat angles P-C4'-P energy: -69.592 tors. eta vs tors. theta energy: -129.568 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: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1314.622044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.622044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.622044 (E_RNA) where: Base-Base interactions energy: -885.464 where: short stacking energy: -384.499 Base-Backbone interact. energy: 0.472 local terms energy: -429.630267 where: bonds (distance) C4'-P energy: -83.667 bonds (distance) P-C4' energy: -87.061 flat angles C4'-P-C4' energy: -84.988 flat angles P-C4'-P energy: -70.642 tors. eta vs tors. theta energy: -103.272 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: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1258.378569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.378569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.378569 (E_RNA) where: Base-Base interactions energy: -831.322 where: short stacking energy: -359.750 Base-Backbone interact. energy: -2.293 local terms energy: -424.763688 where: bonds (distance) C4'-P energy: -79.349 bonds (distance) P-C4' energy: -89.258 flat angles C4'-P-C4' energy: -83.352 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -110.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -973.677534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.677534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.677534 (E_RNA) where: Base-Base interactions energy: -626.127 where: short stacking energy: -299.120 Base-Backbone interact. energy: 0.352 local terms energy: -347.902594 where: bonds (distance) C4'-P energy: -79.104 bonds (distance) P-C4' energy: -81.893 flat angles C4'-P-C4' energy: -78.846 flat angles P-C4'-P energy: -45.690 tors. eta vs tors. theta energy: -62.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -809.901238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.901238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.901238 (E_RNA) where: Base-Base interactions energy: -468.049 where: short stacking energy: -217.939 Base-Backbone interact. energy: -2.874 local terms energy: -338.977849 where: bonds (distance) C4'-P energy: -86.349 bonds (distance) P-C4' energy: -66.029 flat angles C4'-P-C4' energy: -89.185 flat angles P-C4'-P energy: -48.077 tors. eta vs tors. theta energy: -49.338 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: 167 Temperature: 1.250000 Total energy: -639.698167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.698167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.698167 (E_RNA) where: Base-Base interactions energy: -380.699 where: short stacking energy: -214.711 Base-Backbone interact. energy: -1.399 local terms energy: -257.600358 where: bonds (distance) C4'-P energy: -58.039 bonds (distance) P-C4' energy: -74.914 flat angles C4'-P-C4' energy: -69.068 flat angles P-C4'-P energy: -35.575 tors. eta vs tors. theta energy: -20.005 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: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -537.377012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.377012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.377012 (E_RNA) where: Base-Base interactions energy: -284.996 where: short stacking energy: -159.800 Base-Backbone interact. energy: -0.497 local terms energy: -251.884097 where: bonds (distance) C4'-P energy: -88.571 bonds (distance) P-C4' energy: -72.656 flat angles C4'-P-C4' energy: -52.494 flat angles P-C4'-P energy: -38.418 tors. eta vs tors. theta energy: 0.254 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: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -535.323152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.323152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.323152 (E_RNA) where: Base-Base interactions energy: -268.883 where: short stacking energy: -149.974 Base-Backbone interact. energy: -0.041 local terms energy: -266.398985 where: bonds (distance) C4'-P energy: -67.672 bonds (distance) P-C4' energy: -78.694 flat angles C4'-P-C4' energy: -68.606 flat angles P-C4'-P energy: -48.513 tors. eta vs tors. theta energy: -2.915 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: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1588.501792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.501792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.501792 (E_RNA) where: Base-Base interactions energy: -1083.432 where: short stacking energy: -450.574 Base-Backbone interact. energy: -0.237 local terms energy: -504.832480 where: bonds (distance) C4'-P energy: -99.263 bonds (distance) P-C4' energy: -93.471 flat angles C4'-P-C4' energy: -101.378 flat angles P-C4'-P energy: -76.797 tors. eta vs tors. theta energy: -133.923 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: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1488.064449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.064449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.064449 (E_RNA) where: Base-Base interactions energy: -1006.060 where: short stacking energy: -413.262 Base-Backbone interact. energy: -2.840 local terms energy: -479.165192 where: bonds (distance) C4'-P energy: -89.172 bonds (distance) P-C4' energy: -90.942 flat angles C4'-P-C4' energy: -93.394 flat angles P-C4'-P energy: -75.588 tors. eta vs tors. theta energy: -130.069 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: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1478.071608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.071608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.071608 (E_RNA) where: Base-Base interactions energy: -1002.641 where: short stacking energy: -401.189 Base-Backbone interact. energy: -2.087 local terms energy: -473.343484 where: bonds (distance) C4'-P energy: -93.771 bonds (distance) P-C4' energy: -86.432 flat angles C4'-P-C4' energy: -96.196 flat angles P-C4'-P energy: -73.535 tors. eta vs tors. theta energy: -123.410 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: 5 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1300.292203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.292203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.292203 (E_RNA) where: Base-Base interactions energy: -861.078 where: short stacking energy: -393.685 Base-Backbone interact. energy: 3.676 local terms energy: -442.890475 where: bonds (distance) C4'-P energy: -87.327 bonds (distance) P-C4' energy: -88.709 flat angles C4'-P-C4' energy: -91.746 flat angles P-C4'-P energy: -57.043 tors. eta vs tors. theta energy: -118.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1302.299050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.299050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.299050 (E_RNA) where: Base-Base interactions energy: -905.383 where: short stacking energy: -375.466 Base-Backbone interact. energy: -0.380 local terms energy: -396.536139 where: bonds (distance) C4'-P energy: -82.336 bonds (distance) P-C4' energy: -68.802 flat angles C4'-P-C4' energy: -89.477 flat angles P-C4'-P energy: -52.834 tors. eta vs tors. theta energy: -103.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -958.767969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.767969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.767969 (E_RNA) where: Base-Base interactions energy: -617.211 where: short stacking energy: -272.876 Base-Backbone interact. energy: 0.556 local terms energy: -342.112428 where: bonds (distance) C4'-P energy: -63.532 bonds (distance) P-C4' energy: -81.467 flat angles C4'-P-C4' energy: -79.147 flat angles P-C4'-P energy: -49.152 tors. eta vs tors. theta energy: -68.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -790.472369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.472369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.472369 (E_RNA) where: Base-Base interactions energy: -469.389 where: short stacking energy: -215.018 Base-Backbone interact. energy: 2.215 local terms energy: -323.298604 where: bonds (distance) C4'-P energy: -86.830 bonds (distance) P-C4' energy: -72.139 flat angles C4'-P-C4' energy: -80.826 flat angles P-C4'-P energy: -52.634 tors. eta vs tors. theta energy: -30.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -612.646305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.646305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.646305 (E_RNA) where: Base-Base interactions energy: -293.587 where: short stacking energy: -158.343 Base-Backbone interact. energy: 1.020 local terms energy: -320.079516 where: bonds (distance) C4'-P energy: -81.714 bonds (distance) P-C4' energy: -80.058 flat angles C4'-P-C4' energy: -88.912 flat angles P-C4'-P energy: -49.238 tors. eta vs tors. theta energy: -20.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -553.028899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.028899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.028899 (E_RNA) where: Base-Base interactions energy: -271.561 where: short stacking energy: -156.442 Base-Backbone interact. energy: 1.675 local terms energy: -283.142115 where: bonds (distance) C4'-P energy: -66.142 bonds (distance) P-C4' energy: -86.279 flat angles C4'-P-C4' energy: -65.920 flat angles P-C4'-P energy: -51.747 tors. eta vs tors. theta energy: -13.054 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: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -516.760365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.760365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.760365 (E_RNA) where: Base-Base interactions energy: -289.122 where: short stacking energy: -159.040 Base-Backbone interact. energy: -0.267 local terms energy: -227.371185 where: bonds (distance) C4'-P energy: -56.149 bonds (distance) P-C4' energy: -72.347 flat angles C4'-P-C4' energy: -68.764 flat angles P-C4'-P energy: -37.225 tors. eta vs tors. theta energy: 7.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1566.130609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.130609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.130609 (E_RNA) where: Base-Base interactions energy: -1096.900 where: short stacking energy: -444.453 Base-Backbone interact. energy: -0.188 local terms energy: -469.043384 where: bonds (distance) C4'-P energy: -77.321 bonds (distance) P-C4' energy: -90.616 flat angles C4'-P-C4' energy: -102.845 flat angles P-C4'-P energy: -71.540 tors. eta vs tors. theta energy: -126.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1494.211066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.211066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.211066 (E_RNA) where: Base-Base interactions energy: -1021.206 where: short stacking energy: -421.589 Base-Backbone interact. energy: -2.564 local terms energy: -470.441889 where: bonds (distance) C4'-P energy: -85.101 bonds (distance) P-C4' energy: -85.254 flat angles C4'-P-C4' energy: -104.829 flat angles P-C4'-P energy: -70.894 tors. eta vs tors. theta energy: -124.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1477.611516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.611516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.611516 (E_RNA) where: Base-Base interactions energy: -1016.214 where: short stacking energy: -398.409 Base-Backbone interact. energy: 7.233 local terms energy: -468.630037 where: bonds (distance) C4'-P energy: -87.040 bonds (distance) P-C4' energy: -89.382 flat angles C4'-P-C4' energy: -99.120 flat angles P-C4'-P energy: -67.486 tors. eta vs tors. theta energy: -125.602 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: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1361.362599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.362599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.362599 (E_RNA) where: Base-Base interactions energy: -923.484 where: short stacking energy: -378.020 Base-Backbone interact. energy: -2.631 local terms energy: -435.248155 where: bonds (distance) C4'-P energy: -81.808 bonds (distance) P-C4' energy: -89.410 flat angles C4'-P-C4' energy: -90.285 flat angles P-C4'-P energy: -64.260 tors. eta vs tors. theta energy: -109.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1265.817149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.817149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.817149 (E_RNA) where: Base-Base interactions energy: -815.417 where: short stacking energy: -353.450 Base-Backbone interact. energy: -1.434 local terms energy: -448.966225 where: bonds (distance) C4'-P energy: -91.351 bonds (distance) P-C4' energy: -83.414 flat angles C4'-P-C4' energy: -101.494 flat angles P-C4'-P energy: -61.740 tors. eta vs tors. theta energy: -110.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -948.201585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.201585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.201585 (E_RNA) where: Base-Base interactions energy: -595.370 where: short stacking energy: -264.565 Base-Backbone interact. energy: -2.037 local terms energy: -350.794805 where: bonds (distance) C4'-P energy: -77.997 bonds (distance) P-C4' energy: -80.733 flat angles C4'-P-C4' energy: -89.321 flat angles P-C4'-P energy: -43.703 tors. eta vs tors. theta energy: -59.041 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: 1 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -810.665487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.665487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.665487 (E_RNA) where: Base-Base interactions energy: -492.877 where: short stacking energy: -230.519 Base-Backbone interact. energy: 0.905 local terms energy: -318.693558 where: bonds (distance) C4'-P energy: -75.848 bonds (distance) P-C4' energy: -69.332 flat angles C4'-P-C4' energy: -89.533 flat angles P-C4'-P energy: -45.305 tors. eta vs tors. theta energy: -38.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -617.358473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.358473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.358473 (E_RNA) where: Base-Base interactions energy: -311.912 where: short stacking energy: -156.777 Base-Backbone interact. energy: 0.876 local terms energy: -306.322557 where: bonds (distance) C4'-P energy: -81.215 bonds (distance) P-C4' energy: -84.516 flat angles C4'-P-C4' energy: -73.891 flat angles P-C4'-P energy: -55.591 tors. eta vs tors. theta energy: -11.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -540.372679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.372679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.372679 (E_RNA) where: Base-Base interactions energy: -270.729 where: short stacking energy: -143.468 Base-Backbone interact. energy: -1.277 local terms energy: -268.366620 where: bonds (distance) C4'-P energy: -74.714 bonds (distance) P-C4' energy: -73.653 flat angles C4'-P-C4' energy: -74.676 flat angles P-C4'-P energy: -45.304 tors. eta vs tors. theta energy: -0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -539.645697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.645697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.645697 (E_RNA) where: Base-Base interactions energy: -263.469 where: short stacking energy: -140.420 Base-Backbone interact. energy: 1.245 local terms energy: -277.421210 where: bonds (distance) C4'-P energy: -76.855 bonds (distance) P-C4' energy: -79.423 flat angles C4'-P-C4' energy: -69.713 flat angles P-C4'-P energy: -39.131 tors. eta vs tors. theta energy: -12.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1557.145220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.145220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.145220 (E_RNA) where: Base-Base interactions energy: -1057.933 where: short stacking energy: -440.820 Base-Backbone interact. energy: -2.406 local terms energy: -496.805535 where: bonds (distance) C4'-P energy: -89.486 bonds (distance) P-C4' energy: -95.965 flat angles C4'-P-C4' energy: -108.955 flat angles P-C4'-P energy: -71.116 tors. eta vs tors. theta energy: -131.284 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: 170 Temperature: 0.950000 Total energy: -1497.659952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.659952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.659952 (E_RNA) where: Base-Base interactions energy: -1023.396 where: short stacking energy: -410.232 Base-Backbone interact. energy: -1.711 local terms energy: -472.552723 where: bonds (distance) C4'-P energy: -92.941 bonds (distance) P-C4' energy: -99.452 flat angles C4'-P-C4' energy: -97.924 flat angles P-C4'-P energy: -60.658 tors. eta vs tors. theta energy: -121.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1463.074033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.074033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.074033 (E_RNA) where: Base-Base interactions energy: -1016.135 where: short stacking energy: -423.389 Base-Backbone interact. energy: -2.465 local terms energy: -444.474263 where: bonds (distance) C4'-P energy: -94.562 bonds (distance) P-C4' energy: -78.429 flat angles C4'-P-C4' energy: -95.383 flat angles P-C4'-P energy: -57.555 tors. eta vs tors. theta energy: -118.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1384.914048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.914048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.914048 (E_RNA) where: Base-Base interactions energy: -954.024 where: short stacking energy: -419.744 Base-Backbone interact. energy: 0.264 local terms energy: -431.153795 where: bonds (distance) C4'-P energy: -69.687 bonds (distance) P-C4' energy: -82.915 flat angles C4'-P-C4' energy: -94.907 flat angles P-C4'-P energy: -62.186 tors. eta vs tors. theta energy: -121.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1219.967309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.967309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.967309 (E_RNA) where: Base-Base interactions energy: -800.031 where: short stacking energy: -341.725 Base-Backbone interact. energy: -2.987 local terms energy: -416.949138 where: bonds (distance) C4'-P energy: -79.494 bonds (distance) P-C4' energy: -78.660 flat angles C4'-P-C4' energy: -98.476 flat angles P-C4'-P energy: -59.190 tors. eta vs tors. theta energy: -101.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -976.564166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.564166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.564166 (E_RNA) where: Base-Base interactions energy: -623.746 where: short stacking energy: -277.838 Base-Backbone interact. energy: -4.390 local terms energy: -348.427877 where: bonds (distance) C4'-P energy: -64.999 bonds (distance) P-C4' energy: -75.142 flat angles C4'-P-C4' energy: -88.442 flat angles P-C4'-P energy: -51.273 tors. eta vs tors. theta energy: -68.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -870.185710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.185710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.185710 (E_RNA) where: Base-Base interactions energy: -548.405 where: short stacking energy: -245.839 Base-Backbone interact. energy: -1.701 local terms energy: -320.079690 where: bonds (distance) C4'-P energy: -70.996 bonds (distance) P-C4' energy: -78.123 flat angles C4'-P-C4' energy: -79.815 flat angles P-C4'-P energy: -44.330 tors. eta vs tors. theta energy: -46.816 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: 170 Temperature: 1.250000 Total energy: -599.241149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.241149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.241149 (E_RNA) where: Base-Base interactions energy: -298.065 where: short stacking energy: -158.193 Base-Backbone interact. energy: 0.819 local terms energy: -301.994336 where: bonds (distance) C4'-P energy: -79.149 bonds (distance) P-C4' energy: -83.630 flat angles C4'-P-C4' energy: -72.435 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -17.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -542.761084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.761084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.761084 (E_RNA) where: Base-Base interactions energy: -274.689 where: short stacking energy: -131.708 Base-Backbone interact. energy: 0.503 local terms energy: -268.574678 where: bonds (distance) C4'-P energy: -89.909 bonds (distance) P-C4' energy: -77.765 flat angles C4'-P-C4' energy: -57.207 flat angles P-C4'-P energy: -41.390 tors. eta vs tors. theta energy: -2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -535.480186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.480186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.480186 (E_RNA) where: Base-Base interactions energy: -278.301 where: short stacking energy: -135.257 Base-Backbone interact. energy: 3.334 local terms energy: -260.512579 where: bonds (distance) C4'-P energy: -78.445 bonds (distance) P-C4' energy: -85.668 flat angles C4'-P-C4' energy: -60.787 flat angles P-C4'-P energy: -35.114 tors. eta vs tors. theta energy: -0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1575.415326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.415326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.415326 (E_RNA) where: Base-Base interactions energy: -1094.733 where: short stacking energy: -461.176 Base-Backbone interact. energy: -4.226 local terms energy: -476.456646 where: bonds (distance) C4'-P energy: -87.710 bonds (distance) P-C4' energy: -83.844 flat angles C4'-P-C4' energy: -101.830 flat angles P-C4'-P energy: -69.834 tors. eta vs tors. theta energy: -133.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1508.730181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.730181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.730181 (E_RNA) where: Base-Base interactions energy: -1041.932 where: short stacking energy: -444.278 Base-Backbone interact. energy: -2.924 local terms energy: -463.874362 where: bonds (distance) C4'-P energy: -77.433 bonds (distance) P-C4' energy: -84.960 flat angles C4'-P-C4' energy: -109.117 flat angles P-C4'-P energy: -65.889 tors. eta vs tors. theta energy: -126.475 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: 4 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1469.669239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.669239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.669239 (E_RNA) where: Base-Base interactions energy: -1002.976 where: short stacking energy: -415.425 Base-Backbone interact. energy: 0.414 local terms energy: -467.106842 where: bonds (distance) C4'-P energy: -91.673 bonds (distance) P-C4' energy: -89.546 flat angles C4'-P-C4' energy: -106.745 flat angles P-C4'-P energy: -58.194 tors. eta vs tors. theta energy: -120.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1396.109546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.109546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.109546 (E_RNA) where: Base-Base interactions energy: -963.742 where: short stacking energy: -408.543 Base-Backbone interact. energy: -2.690 local terms energy: -429.677666 where: bonds (distance) C4'-P energy: -76.703 bonds (distance) P-C4' energy: -89.468 flat angles C4'-P-C4' energy: -92.584 flat angles P-C4'-P energy: -46.754 tors. eta vs tors. theta energy: -124.168 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: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1234.303498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.303498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.303498 (E_RNA) where: Base-Base interactions energy: -805.663 where: short stacking energy: -364.028 Base-Backbone interact. energy: -1.389 local terms energy: -427.250811 where: bonds (distance) C4'-P energy: -84.025 bonds (distance) P-C4' energy: -89.331 flat angles C4'-P-C4' energy: -93.064 flat angles P-C4'-P energy: -55.836 tors. eta vs tors. theta energy: -104.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -966.033828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.033828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.033828 (E_RNA) where: Base-Base interactions energy: -603.188 where: short stacking energy: -268.543 Base-Backbone interact. energy: -0.853 local terms energy: -361.992459 where: bonds (distance) C4'-P energy: -62.749 bonds (distance) P-C4' energy: -91.615 flat angles C4'-P-C4' energy: -81.271 flat angles P-C4'-P energy: -64.739 tors. eta vs tors. theta energy: -61.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -856.603564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.603564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.603564 (E_RNA) where: Base-Base interactions energy: -513.610 where: short stacking energy: -244.068 Base-Backbone interact. energy: 0.318 local terms energy: -343.311419 where: bonds (distance) C4'-P energy: -68.933 bonds (distance) P-C4' energy: -83.244 flat angles C4'-P-C4' energy: -85.970 flat angles P-C4'-P energy: -57.708 tors. eta vs tors. theta energy: -47.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -557.926807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.926807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.926807 (E_RNA) where: Base-Base interactions energy: -289.278 where: short stacking energy: -170.843 Base-Backbone interact. energy: 0.924 local terms energy: -269.573083 where: bonds (distance) C4'-P energy: -74.367 bonds (distance) P-C4' energy: -61.687 flat angles C4'-P-C4' energy: -74.885 flat angles P-C4'-P energy: -47.307 tors. eta vs tors. theta energy: -11.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -556.239325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.239325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.239325 (E_RNA) where: Base-Base interactions energy: -278.307 where: short stacking energy: -181.713 Base-Backbone interact. energy: -1.776 local terms energy: -276.156501 where: bonds (distance) C4'-P energy: -64.620 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -76.145 flat angles P-C4'-P energy: -49.698 tors. eta vs tors. theta energy: -22.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -540.036113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.036113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.036113 (E_RNA) where: Base-Base interactions energy: -298.849 where: short stacking energy: -160.686 Base-Backbone interact. energy: -0.514 local terms energy: -240.672814 where: bonds (distance) C4'-P energy: -83.122 bonds (distance) P-C4' energy: -72.895 flat angles C4'-P-C4' energy: -68.803 flat angles P-C4'-P energy: -18.587 tors. eta vs tors. theta energy: 2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1579.260130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.260130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.260130 (E_RNA) where: Base-Base interactions energy: -1079.900 where: short stacking energy: -467.757 Base-Backbone interact. energy: -1.559 local terms energy: -497.801575 where: bonds (distance) C4'-P energy: -82.793 bonds (distance) P-C4' energy: -88.272 flat angles C4'-P-C4' energy: -108.838 flat angles P-C4'-P energy: -78.037 tors. eta vs tors. theta energy: -139.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1500.154736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.154736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.154736 (E_RNA) where: Base-Base interactions energy: -1024.827 where: short stacking energy: -436.745 Base-Backbone interact. energy: -1.399 local terms energy: -473.928661 where: bonds (distance) C4'-P energy: -81.195 bonds (distance) P-C4' energy: -88.081 flat angles C4'-P-C4' energy: -103.682 flat angles P-C4'-P energy: -71.203 tors. eta vs tors. theta energy: -129.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1502.333904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.333904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.333904 (E_RNA) where: Base-Base interactions energy: -1039.988 where: short stacking energy: -422.941 Base-Backbone interact. energy: 4.128 local terms energy: -466.473626 where: bonds (distance) C4'-P energy: -85.300 bonds (distance) P-C4' energy: -83.582 flat angles C4'-P-C4' energy: -103.081 flat angles P-C4'-P energy: -65.317 tors. eta vs tors. theta energy: -129.194 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: 3 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1389.960969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.960969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.960969 (E_RNA) where: Base-Base interactions energy: -943.061 where: short stacking energy: -392.406 Base-Backbone interact. energy: -3.480 local terms energy: -443.419971 where: bonds (distance) C4'-P energy: -80.823 bonds (distance) P-C4' energy: -85.544 flat angles C4'-P-C4' energy: -89.818 flat angles P-C4'-P energy: -66.850 tors. eta vs tors. theta energy: -120.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1221.852485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.852485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.852485 (E_RNA) where: Base-Base interactions energy: -810.103 where: short stacking energy: -362.699 Base-Backbone interact. energy: -0.615 local terms energy: -411.134897 where: bonds (distance) C4'-P energy: -71.526 bonds (distance) P-C4' energy: -74.090 flat angles C4'-P-C4' energy: -90.526 flat angles P-C4'-P energy: -67.524 tors. eta vs tors. theta energy: -107.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -945.855927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.855927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.855927 (E_RNA) where: Base-Base interactions energy: -595.147 where: short stacking energy: -269.252 Base-Backbone interact. energy: -0.735 local terms energy: -349.973990 where: bonds (distance) C4'-P energy: -72.745 bonds (distance) P-C4' energy: -85.855 flat angles C4'-P-C4' energy: -84.787 flat angles P-C4'-P energy: -42.897 tors. eta vs tors. theta energy: -63.690 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: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -864.009531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.009531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.009531 (E_RNA) where: Base-Base interactions energy: -507.703 where: short stacking energy: -237.072 Base-Backbone interact. energy: 1.769 local terms energy: -358.075411 where: bonds (distance) C4'-P energy: -81.108 bonds (distance) P-C4' energy: -71.322 flat angles C4'-P-C4' energy: -86.506 flat angles P-C4'-P energy: -61.744 tors. eta vs tors. theta energy: -57.395 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: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -570.848899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.848899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.848899 (E_RNA) where: Base-Base interactions energy: -288.852 where: short stacking energy: -169.247 Base-Backbone interact. energy: -1.249 local terms energy: -280.747804 where: bonds (distance) C4'-P energy: -75.811 bonds (distance) P-C4' energy: -86.567 flat angles C4'-P-C4' energy: -63.412 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -553.314829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.314829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.314829 (E_RNA) where: Base-Base interactions energy: -279.482 where: short stacking energy: -156.645 Base-Backbone interact. energy: 1.176 local terms energy: -275.009053 where: bonds (distance) C4'-P energy: -77.911 bonds (distance) P-C4' energy: -82.759 flat angles C4'-P-C4' energy: -73.068 flat angles P-C4'-P energy: -33.145 tors. eta vs tors. theta energy: -8.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -538.372308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.372308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.372308 (E_RNA) where: Base-Base interactions energy: -291.467 where: short stacking energy: -167.799 Base-Backbone interact. energy: -0.430 local terms energy: -246.475612 where: bonds (distance) C4'-P energy: -61.232 bonds (distance) P-C4' energy: -88.119 flat angles C4'-P-C4' energy: -48.975 flat angles P-C4'-P energy: -33.857 tors. eta vs tors. theta energy: -14.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1576.165331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.165331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.165331 (E_RNA) where: Base-Base interactions energy: -1071.722 where: short stacking energy: -442.698 Base-Backbone interact. energy: -3.319 local terms energy: -501.124303 where: bonds (distance) C4'-P energy: -88.599 bonds (distance) P-C4' energy: -99.798 flat angles C4'-P-C4' energy: -107.314 flat angles P-C4'-P energy: -70.985 tors. eta vs tors. theta energy: -134.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1512.908093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.908093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.908093 (E_RNA) where: Base-Base interactions energy: -1037.161 where: short stacking energy: -413.424 Base-Backbone interact. energy: -1.292 local terms energy: -474.455350 where: bonds (distance) C4'-P energy: -87.018 bonds (distance) P-C4' energy: -84.395 flat angles C4'-P-C4' energy: -105.122 flat angles P-C4'-P energy: -69.451 tors. eta vs tors. theta energy: -128.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1469.300536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.300536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.300536 (E_RNA) where: Base-Base interactions energy: -1007.310 where: short stacking energy: -436.022 Base-Backbone interact. energy: -3.005 local terms energy: -458.985914 where: bonds (distance) C4'-P energy: -95.244 bonds (distance) P-C4' energy: -89.646 flat angles C4'-P-C4' energy: -89.943 flat angles P-C4'-P energy: -55.419 tors. eta vs tors. theta energy: -128.734 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: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1395.118447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.118447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.118447 (E_RNA) where: Base-Base interactions energy: -954.445 where: short stacking energy: -397.857 Base-Backbone interact. energy: -1.545 local terms energy: -439.127760 where: bonds (distance) C4'-P energy: -78.661 bonds (distance) P-C4' energy: -76.850 flat angles C4'-P-C4' energy: -97.582 flat angles P-C4'-P energy: -62.835 tors. eta vs tors. theta energy: -123.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1278.168048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.168048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.168048 (E_RNA) where: Base-Base interactions energy: -838.475 where: short stacking energy: -362.258 Base-Backbone interact. energy: 1.771 local terms energy: -441.463403 where: bonds (distance) C4'-P energy: -99.212 bonds (distance) P-C4' energy: -76.903 flat angles C4'-P-C4' energy: -91.354 flat angles P-C4'-P energy: -61.061 tors. eta vs tors. theta energy: -112.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -955.610327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.610327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.610327 (E_RNA) where: Base-Base interactions energy: -604.990 where: short stacking energy: -272.114 Base-Backbone interact. energy: -1.206 local terms energy: -349.414454 where: bonds (distance) C4'-P energy: -75.806 bonds (distance) P-C4' energy: -82.312 flat angles C4'-P-C4' energy: -80.478 flat angles P-C4'-P energy: -39.385 tors. eta vs tors. theta energy: -71.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -861.589836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.589836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.589836 (E_RNA) where: Base-Base interactions energy: -521.886 where: short stacking energy: -243.263 Base-Backbone interact. energy: 2.002 local terms energy: -341.705759 where: bonds (distance) C4'-P energy: -80.317 bonds (distance) P-C4' energy: -82.315 flat angles C4'-P-C4' energy: -86.177 flat angles P-C4'-P energy: -53.312 tors. eta vs tors. theta energy: -39.584 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: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -610.679884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.679884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.679884 (E_RNA) where: Base-Base interactions energy: -340.030 where: short stacking energy: -176.862 Base-Backbone interact. energy: 3.354 local terms energy: -274.003844 where: bonds (distance) C4'-P energy: -54.197 bonds (distance) P-C4' energy: -88.163 flat angles C4'-P-C4' energy: -69.760 flat angles P-C4'-P energy: -41.259 tors. eta vs tors. theta energy: -20.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -568.427458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.427458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.427458 (E_RNA) where: Base-Base interactions energy: -293.839 where: short stacking energy: -147.725 Base-Backbone interact. energy: 0.101 local terms energy: -274.689372 where: bonds (distance) C4'-P energy: -70.899 bonds (distance) P-C4' energy: -80.781 flat angles C4'-P-C4' energy: -61.098 flat angles P-C4'-P energy: -58.071 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -537.879117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.879117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.879117 (E_RNA) where: Base-Base interactions energy: -251.042 where: short stacking energy: -118.824 Base-Backbone interact. energy: -1.891 local terms energy: -284.946375 where: bonds (distance) C4'-P energy: -83.044 bonds (distance) P-C4' energy: -91.854 flat angles C4'-P-C4' energy: -72.528 flat angles P-C4'-P energy: -48.210 tors. eta vs tors. theta energy: 10.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1570.609264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.609264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.609264 (E_RNA) where: Base-Base interactions energy: -1073.756 where: short stacking energy: -442.951 Base-Backbone interact. energy: -3.547 local terms energy: -493.306996 where: bonds (distance) C4'-P energy: -88.159 bonds (distance) P-C4' energy: -99.687 flat angles C4'-P-C4' energy: -103.210 flat angles P-C4'-P energy: -69.938 tors. eta vs tors. theta energy: -132.314 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: 2 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1520.995806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.995806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.995806 (E_RNA) where: Base-Base interactions energy: -1045.934 where: short stacking energy: -436.875 Base-Backbone interact. energy: -0.965 local terms energy: -474.096317 where: bonds (distance) C4'-P energy: -84.980 bonds (distance) P-C4' energy: -86.551 flat angles C4'-P-C4' energy: -98.552 flat angles P-C4'-P energy: -69.804 tors. eta vs tors. theta energy: -134.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1491.903935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.903935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.903935 (E_RNA) where: Base-Base interactions energy: -1025.980 where: short stacking energy: -439.589 Base-Backbone interact. energy: -2.223 local terms energy: -463.701345 where: bonds (distance) C4'-P energy: -79.910 bonds (distance) P-C4' energy: -85.089 flat angles C4'-P-C4' energy: -92.316 flat angles P-C4'-P energy: -72.996 tors. eta vs tors. theta energy: -133.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1389.674891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.674891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.674891 (E_RNA) where: Base-Base interactions energy: -944.717 where: short stacking energy: -393.186 Base-Backbone interact. energy: -0.020 local terms energy: -444.938453 where: bonds (distance) C4'-P energy: -80.328 bonds (distance) P-C4' energy: -80.587 flat angles C4'-P-C4' energy: -102.731 flat angles P-C4'-P energy: -69.062 tors. eta vs tors. theta energy: -112.231 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: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1278.611216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.611216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.611216 (E_RNA) where: Base-Base interactions energy: -863.298 where: short stacking energy: -380.246 Base-Backbone interact. energy: -2.826 local terms energy: -412.486678 where: bonds (distance) C4'-P energy: -72.888 bonds (distance) P-C4' energy: -78.584 flat angles C4'-P-C4' energy: -92.966 flat angles P-C4'-P energy: -59.780 tors. eta vs tors. theta energy: -108.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -958.032539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.032539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.032539 (E_RNA) where: Base-Base interactions energy: -594.085 where: short stacking energy: -241.540 Base-Backbone interact. energy: -0.894 local terms energy: -363.053483 where: bonds (distance) C4'-P energy: -84.775 bonds (distance) P-C4' energy: -83.854 flat angles C4'-P-C4' energy: -81.812 flat angles P-C4'-P energy: -57.791 tors. eta vs tors. theta energy: -54.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -851.425709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.425709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.425709 (E_RNA) where: Base-Base interactions energy: -518.967 where: short stacking energy: -244.357 Base-Backbone interact. energy: 0.251 local terms energy: -332.710087 where: bonds (distance) C4'-P energy: -82.770 bonds (distance) P-C4' energy: -76.891 flat angles C4'-P-C4' energy: -73.618 flat angles P-C4'-P energy: -52.576 tors. eta vs tors. theta energy: -46.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -624.277729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.277729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.277729 (E_RNA) where: Base-Base interactions energy: -325.286 where: short stacking energy: -182.625 Base-Backbone interact. energy: -1.243 local terms energy: -297.748354 where: bonds (distance) C4'-P energy: -74.365 bonds (distance) P-C4' energy: -84.739 flat angles C4'-P-C4' energy: -88.027 flat angles P-C4'-P energy: -35.285 tors. eta vs tors. theta energy: -15.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -558.145177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.145177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.145177 (E_RNA) where: Base-Base interactions energy: -264.482 where: short stacking energy: -144.355 Base-Backbone interact. energy: -3.507 local terms energy: -290.155417 where: bonds (distance) C4'-P energy: -74.635 bonds (distance) P-C4' energy: -78.195 flat angles C4'-P-C4' energy: -79.257 flat angles P-C4'-P energy: -44.634 tors. eta vs tors. theta energy: -13.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -547.924578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.924578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.924578 (E_RNA) where: Base-Base interactions energy: -285.747 where: short stacking energy: -161.200 Base-Backbone interact. energy: 0.579 local terms energy: -262.757169 where: bonds (distance) C4'-P energy: -85.749 bonds (distance) P-C4' energy: -81.141 flat angles C4'-P-C4' energy: -52.225 flat angles P-C4'-P energy: -27.761 tors. eta vs tors. theta energy: -15.882 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: 4 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1563.854783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.854783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.854783 (E_RNA) where: Base-Base interactions energy: -1066.501 where: short stacking energy: -443.917 Base-Backbone interact. energy: -1.810 local terms energy: -495.543613 where: bonds (distance) C4'-P energy: -93.895 bonds (distance) P-C4' energy: -80.052 flat angles C4'-P-C4' energy: -109.315 flat angles P-C4'-P energy: -72.414 tors. eta vs tors. theta energy: -139.868 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: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1525.564488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.564488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.564488 (E_RNA) where: Base-Base interactions energy: -1029.471 where: short stacking energy: -434.290 Base-Backbone interact. energy: -5.229 local terms energy: -490.864467 where: bonds (distance) C4'-P energy: -92.958 bonds (distance) P-C4' energy: -94.804 flat angles C4'-P-C4' energy: -103.667 flat angles P-C4'-P energy: -68.144 tors. eta vs tors. theta energy: -131.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1483.164202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.164202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.164202 (E_RNA) where: Base-Base interactions energy: -1022.826 where: short stacking energy: -423.693 Base-Backbone interact. energy: -2.542 local terms energy: -457.795916 where: bonds (distance) C4'-P energy: -79.515 bonds (distance) P-C4' energy: -93.727 flat angles C4'-P-C4' energy: -103.757 flat angles P-C4'-P energy: -57.216 tors. eta vs tors. theta energy: -123.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1363.727318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.727318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.727318 (E_RNA) where: Base-Base interactions energy: -922.242 where: short stacking energy: -386.591 Base-Backbone interact. energy: -3.418 local terms energy: -438.067399 where: bonds (distance) C4'-P energy: -79.603 bonds (distance) P-C4' energy: -72.807 flat angles C4'-P-C4' energy: -100.797 flat angles P-C4'-P energy: -59.832 tors. eta vs tors. theta energy: -125.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1290.978405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.978405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.978405 (E_RNA) where: Base-Base interactions energy: -858.981 where: short stacking energy: -366.591 Base-Backbone interact. energy: -0.158 local terms energy: -431.839526 where: bonds (distance) C4'-P energy: -89.024 bonds (distance) P-C4' energy: -82.087 flat angles C4'-P-C4' energy: -86.525 flat angles P-C4'-P energy: -64.816 tors. eta vs tors. theta energy: -109.386 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: 175 Temperature: 1.150000 Total energy: -950.646626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.646626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.646626 (E_RNA) where: Base-Base interactions energy: -586.836 where: short stacking energy: -286.357 Base-Backbone interact. energy: -0.787 local terms energy: -363.022949 where: bonds (distance) C4'-P energy: -72.450 bonds (distance) P-C4' energy: -95.508 flat angles C4'-P-C4' energy: -81.916 flat angles P-C4'-P energy: -45.684 tors. eta vs tors. theta energy: -67.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -821.204542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.204542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.204542 (E_RNA) where: Base-Base interactions energy: -503.612 where: short stacking energy: -244.601 Base-Backbone interact. energy: 3.552 local terms energy: -321.143906 where: bonds (distance) C4'-P energy: -72.103 bonds (distance) P-C4' energy: -74.619 flat angles C4'-P-C4' energy: -73.635 flat angles P-C4'-P energy: -48.923 tors. eta vs tors. theta energy: -51.864 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: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -597.235398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.235398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.235398 (E_RNA) where: Base-Base interactions energy: -292.432 where: short stacking energy: -146.265 Base-Backbone interact. energy: -4.992 local terms energy: -299.811398 where: bonds (distance) C4'-P energy: -77.517 bonds (distance) P-C4' energy: -80.571 flat angles C4'-P-C4' energy: -79.093 flat angles P-C4'-P energy: -44.582 tors. eta vs tors. theta energy: -18.047 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: 175 Temperature: 1.300000 Total energy: -499.110021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.110021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.110021 (E_RNA) where: Base-Base interactions energy: -255.349 where: short stacking energy: -137.061 Base-Backbone interact. energy: 0.508 local terms energy: -244.269799 where: bonds (distance) C4'-P energy: -60.773 bonds (distance) P-C4' energy: -84.033 flat angles C4'-P-C4' energy: -65.776 flat angles P-C4'-P energy: -32.510 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -541.375380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.375380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.375380 (E_RNA) where: Base-Base interactions energy: -262.905 where: short stacking energy: -134.727 Base-Backbone interact. energy: 0.383 local terms energy: -278.853490 where: bonds (distance) C4'-P energy: -89.001 bonds (distance) P-C4' energy: -82.395 flat angles C4'-P-C4' energy: -59.356 flat angles P-C4'-P energy: -43.431 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1576.425882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.425882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.425882 (E_RNA) where: Base-Base interactions energy: -1061.806 where: short stacking energy: -429.821 Base-Backbone interact. energy: 1.336 local terms energy: -515.956213 where: bonds (distance) C4'-P energy: -100.949 bonds (distance) P-C4' energy: -95.372 flat angles C4'-P-C4' energy: -105.297 flat angles P-C4'-P energy: -77.253 tors. eta vs tors. theta energy: -137.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1533.638555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.638555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.638555 (E_RNA) where: Base-Base interactions energy: -1055.250 where: short stacking energy: -444.540 Base-Backbone interact. energy: -2.734 local terms energy: -475.654696 where: bonds (distance) C4'-P energy: -87.211 bonds (distance) P-C4' energy: -94.180 flat angles C4'-P-C4' energy: -100.594 flat angles P-C4'-P energy: -66.137 tors. eta vs tors. theta energy: -127.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1456.272512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.272512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.272512 (E_RNA) where: Base-Base interactions energy: -1011.256 where: short stacking energy: -435.699 Base-Backbone interact. energy: -0.504 local terms energy: -444.512850 where: bonds (distance) C4'-P energy: -77.566 bonds (distance) P-C4' energy: -78.798 flat angles C4'-P-C4' energy: -100.365 flat angles P-C4'-P energy: -61.036 tors. eta vs tors. theta energy: -126.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1338.848767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.848767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.848767 (E_RNA) where: Base-Base interactions energy: -912.719 where: short stacking energy: -390.376 Base-Backbone interact. energy: -2.679 local terms energy: -423.450510 where: bonds (distance) C4'-P energy: -91.550 bonds (distance) P-C4' energy: -70.843 flat angles C4'-P-C4' energy: -89.569 flat angles P-C4'-P energy: -59.679 tors. eta vs tors. theta energy: -111.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1256.494698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.494698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.494698 (E_RNA) where: Base-Base interactions energy: -834.744 where: short stacking energy: -368.584 Base-Backbone interact. energy: -1.756 local terms energy: -419.995076 where: bonds (distance) C4'-P energy: -90.651 bonds (distance) P-C4' energy: -82.303 flat angles C4'-P-C4' energy: -82.803 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: -104.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -922.089454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.089454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.089454 (E_RNA) where: Base-Base interactions energy: -574.097 where: short stacking energy: -272.054 Base-Backbone interact. energy: -1.623 local terms energy: -346.369546 where: bonds (distance) C4'-P energy: -89.206 bonds (distance) P-C4' energy: -78.526 flat angles C4'-P-C4' energy: -70.224 flat angles P-C4'-P energy: -47.403 tors. eta vs tors. theta energy: -61.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -845.909209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.909209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.909209 (E_RNA) where: Base-Base interactions energy: -491.785 where: short stacking energy: -257.076 Base-Backbone interact. energy: -2.829 local terms energy: -351.295473 where: bonds (distance) C4'-P energy: -77.799 bonds (distance) P-C4' energy: -81.950 flat angles C4'-P-C4' energy: -89.861 flat angles P-C4'-P energy: -35.918 tors. eta vs tors. theta energy: -65.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -637.895644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.895644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.895644 (E_RNA) where: Base-Base interactions energy: -323.825 where: short stacking energy: -184.129 Base-Backbone interact. energy: -0.895 local terms energy: -313.175887 where: bonds (distance) C4'-P energy: -75.707 bonds (distance) P-C4' energy: -86.565 flat angles C4'-P-C4' energy: -73.230 flat angles P-C4'-P energy: -49.707 tors. eta vs tors. theta energy: -27.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -539.356183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.356183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.356183 (E_RNA) where: Base-Base interactions energy: -278.789 where: short stacking energy: -137.846 Base-Backbone interact. energy: -1.562 local terms energy: -259.005783 where: bonds (distance) C4'-P energy: -75.660 bonds (distance) P-C4' energy: -73.620 flat angles C4'-P-C4' energy: -74.173 flat angles P-C4'-P energy: -25.370 tors. eta vs tors. theta energy: -10.184 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: 9 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -441.994046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.994046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.994046 (E_RNA) where: Base-Base interactions energy: -195.077 where: short stacking energy: -119.285 Base-Backbone interact. energy: 6.206 local terms energy: -253.123128 where: bonds (distance) C4'-P energy: -75.039 bonds (distance) P-C4' energy: -65.909 flat angles C4'-P-C4' energy: -81.651 flat angles P-C4'-P energy: -34.975 tors. eta vs tors. theta energy: 4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1552.452068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.452068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.452068 (E_RNA) where: Base-Base interactions energy: -1052.294 where: short stacking energy: -438.885 Base-Backbone interact. energy: -2.481 local terms energy: -497.676887 where: bonds (distance) C4'-P energy: -92.319 bonds (distance) P-C4' energy: -96.713 flat angles C4'-P-C4' energy: -103.594 flat angles P-C4'-P energy: -65.825 tors. eta vs tors. theta energy: -139.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1531.446820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.446820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.446820 (E_RNA) where: Base-Base interactions energy: -1063.923 where: short stacking energy: -432.747 Base-Backbone interact. energy: -2.457 local terms energy: -465.066355 where: bonds (distance) C4'-P energy: -90.670 bonds (distance) P-C4' energy: -83.277 flat angles C4'-P-C4' energy: -108.786 flat angles P-C4'-P energy: -59.597 tors. eta vs tors. theta energy: -122.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1470.853904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.853904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.853904 (E_RNA) where: Base-Base interactions energy: -995.391 where: short stacking energy: -421.373 Base-Backbone interact. energy: -0.046 local terms energy: -475.416784 where: bonds (distance) C4'-P energy: -93.926 bonds (distance) P-C4' energy: -90.303 flat angles C4'-P-C4' energy: -106.586 flat angles P-C4'-P energy: -62.379 tors. eta vs tors. theta energy: -122.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1336.243076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.243076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.243076 (E_RNA) where: Base-Base interactions energy: -908.343 where: short stacking energy: -356.130 Base-Backbone interact. energy: -2.481 local terms energy: -425.418383 where: bonds (distance) C4'-P energy: -85.868 bonds (distance) P-C4' energy: -77.016 flat angles C4'-P-C4' energy: -91.776 flat angles P-C4'-P energy: -62.361 tors. eta vs tors. theta energy: -108.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1243.530310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.530310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.530310 (E_RNA) where: Base-Base interactions energy: -819.546 where: short stacking energy: -344.917 Base-Backbone interact. energy: 0.037 local terms energy: -424.020630 where: bonds (distance) C4'-P energy: -78.671 bonds (distance) P-C4' energy: -76.665 flat angles C4'-P-C4' energy: -100.527 flat angles P-C4'-P energy: -59.377 tors. eta vs tors. theta energy: -108.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -884.029790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.029790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.029790 (E_RNA) where: Base-Base interactions energy: -515.839 where: short stacking energy: -250.080 Base-Backbone interact. energy: 2.201 local terms energy: -370.392298 where: bonds (distance) C4'-P energy: -79.889 bonds (distance) P-C4' energy: -95.384 flat angles C4'-P-C4' energy: -88.437 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: -63.116 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: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -848.490121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.490121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.490121 (E_RNA) where: Base-Base interactions energy: -505.022 where: short stacking energy: -253.934 Base-Backbone interact. energy: -2.319 local terms energy: -341.149330 where: bonds (distance) C4'-P energy: -75.228 bonds (distance) P-C4' energy: -89.703 flat angles C4'-P-C4' energy: -71.494 flat angles P-C4'-P energy: -50.097 tors. eta vs tors. theta energy: -54.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -643.880210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.880210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.880210 (E_RNA) where: Base-Base interactions energy: -366.460 where: short stacking energy: -193.003 Base-Backbone interact. energy: -1.190 local terms energy: -276.230344 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -71.259 flat angles C4'-P-C4' energy: -63.439 flat angles P-C4'-P energy: -48.828 tors. eta vs tors. theta energy: -27.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -539.844827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.844827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.844827 (E_RNA) where: Base-Base interactions energy: -267.610 where: short stacking energy: -150.035 Base-Backbone interact. energy: 1.982 local terms energy: -274.216903 where: bonds (distance) C4'-P energy: -72.615 bonds (distance) P-C4' energy: -75.582 flat angles C4'-P-C4' energy: -76.505 flat angles P-C4'-P energy: -44.324 tors. eta vs tors. theta energy: -5.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -459.084567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.084567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.084567 (E_RNA) where: Base-Base interactions energy: -221.495 where: short stacking energy: -119.651 Base-Backbone interact. energy: -2.392 local terms energy: -235.197287 where: bonds (distance) C4'-P energy: -70.188 bonds (distance) P-C4' energy: -89.218 flat angles C4'-P-C4' energy: -68.731 flat angles P-C4'-P energy: -21.413 tors. eta vs tors. theta energy: 14.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1585.059249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.059249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.059249 (E_RNA) where: Base-Base interactions energy: -1081.194 where: short stacking energy: -435.733 Base-Backbone interact. energy: -0.883 local terms energy: -502.982359 where: bonds (distance) C4'-P energy: -96.418 bonds (distance) P-C4' energy: -96.630 flat angles C4'-P-C4' energy: -105.102 flat angles P-C4'-P energy: -71.614 tors. eta vs tors. theta energy: -133.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1525.464572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.464572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.464572 (E_RNA) where: Base-Base interactions energy: -1032.739 where: short stacking energy: -427.979 Base-Backbone interact. energy: -1.552 local terms energy: -491.173279 where: bonds (distance) C4'-P energy: -75.370 bonds (distance) P-C4' energy: -98.419 flat angles C4'-P-C4' energy: -106.904 flat angles P-C4'-P energy: -82.176 tors. eta vs tors. theta energy: -128.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1517.043605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.043605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.043605 (E_RNA) where: Base-Base interactions energy: -1054.850 where: short stacking energy: -439.236 Base-Backbone interact. energy: -3.238 local terms energy: -458.955461 where: bonds (distance) C4'-P energy: -82.873 bonds (distance) P-C4' energy: -77.908 flat angles C4'-P-C4' energy: -102.129 flat angles P-C4'-P energy: -66.299 tors. eta vs tors. theta energy: -129.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1380.121719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.121719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.121719 (E_RNA) where: Base-Base interactions energy: -933.893 where: short stacking energy: -390.303 Base-Backbone interact. energy: -2.722 local terms energy: -443.505778 where: bonds (distance) C4'-P energy: -73.016 bonds (distance) P-C4' energy: -93.031 flat angles C4'-P-C4' energy: -100.759 flat angles P-C4'-P energy: -56.979 tors. eta vs tors. theta energy: -119.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1239.391703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.391703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.391703 (E_RNA) where: Base-Base interactions energy: -847.243 where: short stacking energy: -352.869 Base-Backbone interact. energy: -1.495 local terms energy: -390.653728 where: bonds (distance) C4'-P energy: -70.706 bonds (distance) P-C4' energy: -82.216 flat angles C4'-P-C4' energy: -87.366 flat angles P-C4'-P energy: -50.371 tors. eta vs tors. theta energy: -99.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -884.207445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.207445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.207445 (E_RNA) where: Base-Base interactions energy: -525.315 where: short stacking energy: -252.942 Base-Backbone interact. energy: 2.125 local terms energy: -361.017181 where: bonds (distance) C4'-P energy: -67.119 bonds (distance) P-C4' energy: -93.819 flat angles C4'-P-C4' energy: -90.454 flat angles P-C4'-P energy: -59.226 tors. eta vs tors. theta energy: -50.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -817.981472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.981472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.981472 (E_RNA) where: Base-Base interactions energy: -499.933 where: short stacking energy: -222.729 Base-Backbone interact. energy: 0.008 local terms energy: -318.056697 where: bonds (distance) C4'-P energy: -76.685 bonds (distance) P-C4' energy: -89.382 flat angles C4'-P-C4' energy: -71.826 flat angles P-C4'-P energy: -47.008 tors. eta vs tors. theta energy: -33.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -648.872419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.872419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.872419 (E_RNA) where: Base-Base interactions energy: -343.652 where: short stacking energy: -181.827 Base-Backbone interact. energy: -0.759 local terms energy: -304.461308 where: bonds (distance) C4'-P energy: -82.453 bonds (distance) P-C4' energy: -87.089 flat angles C4'-P-C4' energy: -72.427 flat angles P-C4'-P energy: -41.188 tors. eta vs tors. theta energy: -21.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -560.586482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.586482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.586482 (E_RNA) where: Base-Base interactions energy: -269.043 where: short stacking energy: -161.753 Base-Backbone interact. energy: 0.198 local terms energy: -291.741795 where: bonds (distance) C4'-P energy: -87.203 bonds (distance) P-C4' energy: -82.274 flat angles C4'-P-C4' energy: -69.110 flat angles P-C4'-P energy: -39.968 tors. eta vs tors. theta energy: -13.187 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: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -480.403036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.403036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.403036 (E_RNA) where: Base-Base interactions energy: -231.022 where: short stacking energy: -117.120 Base-Backbone interact. energy: -2.007 local terms energy: -247.374434 where: bonds (distance) C4'-P energy: -60.296 bonds (distance) P-C4' energy: -80.296 flat angles C4'-P-C4' energy: -65.828 flat angles P-C4'-P energy: -42.960 tors. eta vs tors. theta energy: 2.006 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: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1559.436809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.436809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.436809 (E_RNA) where: Base-Base interactions energy: -1080.670 where: short stacking energy: -446.004 Base-Backbone interact. energy: -0.996 local terms energy: -477.770826 where: bonds (distance) C4'-P energy: -103.001 bonds (distance) P-C4' energy: -83.545 flat angles C4'-P-C4' energy: -99.265 flat angles P-C4'-P energy: -67.213 tors. eta vs tors. theta energy: -124.746 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: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1524.490466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.490466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.490466 (E_RNA) where: Base-Base interactions energy: -1049.689 where: short stacking energy: -442.081 Base-Backbone interact. energy: 0.391 local terms energy: -475.192984 where: bonds (distance) C4'-P energy: -70.537 bonds (distance) P-C4' energy: -95.725 flat angles C4'-P-C4' energy: -101.022 flat angles P-C4'-P energy: -81.590 tors. eta vs tors. theta energy: -126.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1490.955187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.955187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.955187 (E_RNA) where: Base-Base interactions energy: -1020.551 where: short stacking energy: -419.720 Base-Backbone interact. energy: -1.425 local terms energy: -468.978959 where: bonds (distance) C4'-P energy: -86.855 bonds (distance) P-C4' energy: -98.167 flat angles C4'-P-C4' energy: -100.730 flat angles P-C4'-P energy: -59.178 tors. eta vs tors. theta energy: -124.048 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: 179 Temperature: 1.050000 Total energy: -1375.999238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.999238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.999238 (E_RNA) where: Base-Base interactions energy: -960.179 where: short stacking energy: -407.296 Base-Backbone interact. energy: -2.632 local terms energy: -413.188358 where: bonds (distance) C4'-P energy: -68.724 bonds (distance) P-C4' energy: -70.563 flat angles C4'-P-C4' energy: -94.187 flat angles P-C4'-P energy: -60.851 tors. eta vs tors. theta energy: -118.864 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: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1238.671531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.671531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.671531 (E_RNA) where: Base-Base interactions energy: -823.265 where: short stacking energy: -350.215 Base-Backbone interact. energy: -0.782 local terms energy: -414.624354 where: bonds (distance) C4'-P energy: -83.930 bonds (distance) P-C4' energy: -84.221 flat angles C4'-P-C4' energy: -85.496 flat angles P-C4'-P energy: -52.857 tors. eta vs tors. theta energy: -108.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -879.008068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.008068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.008068 (E_RNA) where: Base-Base interactions energy: -523.794 where: short stacking energy: -245.285 Base-Backbone interact. energy: -2.706 local terms energy: -352.507116 where: bonds (distance) C4'-P energy: -85.551 bonds (distance) P-C4' energy: -76.569 flat angles C4'-P-C4' energy: -90.513 flat angles P-C4'-P energy: -48.583 tors. eta vs tors. theta energy: -51.291 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: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -827.218547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.218547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.218547 (E_RNA) where: Base-Base interactions energy: -480.118 where: short stacking energy: -257.903 Base-Backbone interact. energy: -1.075 local terms energy: -346.025978 where: bonds (distance) C4'-P energy: -75.903 bonds (distance) P-C4' energy: -71.954 flat angles C4'-P-C4' energy: -73.274 flat angles P-C4'-P energy: -66.997 tors. eta vs tors. theta energy: -57.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -672.420559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.420559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.420559 (E_RNA) where: Base-Base interactions energy: -381.253 where: short stacking energy: -200.693 Base-Backbone interact. energy: -1.016 local terms energy: -290.152013 where: bonds (distance) C4'-P energy: -68.747 bonds (distance) P-C4' energy: -83.028 flat angles C4'-P-C4' energy: -68.051 flat angles P-C4'-P energy: -43.808 tors. eta vs tors. theta energy: -26.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -538.002327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.002327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.002327 (E_RNA) where: Base-Base interactions energy: -289.049 where: short stacking energy: -172.725 Base-Backbone interact. energy: -1.509 local terms energy: -247.444677 where: bonds (distance) C4'-P energy: -61.406 bonds (distance) P-C4' energy: -79.813 flat angles C4'-P-C4' energy: -58.675 flat angles P-C4'-P energy: -34.941 tors. eta vs tors. theta energy: -12.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -467.765549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.765549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.765549 (E_RNA) where: Base-Base interactions energy: -227.128 where: short stacking energy: -135.288 Base-Backbone interact. energy: -0.390 local terms energy: -240.248125 where: bonds (distance) C4'-P energy: -68.523 bonds (distance) P-C4' energy: -77.047 flat angles C4'-P-C4' energy: -48.737 flat angles P-C4'-P energy: -36.088 tors. eta vs tors. theta energy: -9.853 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: 1, replica: 4 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1574.650567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.650567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.650567 (E_RNA) where: Base-Base interactions energy: -1070.908 where: short stacking energy: -426.331 Base-Backbone interact. energy: -0.675 local terms energy: -503.066766 where: bonds (distance) C4'-P energy: -94.528 bonds (distance) P-C4' energy: -96.265 flat angles C4'-P-C4' energy: -95.534 flat angles P-C4'-P energy: -80.671 tors. eta vs tors. theta energy: -136.069 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: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1527.855925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.855925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.855925 (E_RNA) where: Base-Base interactions energy: -1035.046 where: short stacking energy: -442.969 Base-Backbone interact. energy: -1.615 local terms energy: -491.195231 where: bonds (distance) C4'-P energy: -88.081 bonds (distance) P-C4' energy: -99.295 flat angles C4'-P-C4' energy: -101.905 flat angles P-C4'-P energy: -72.447 tors. eta vs tors. theta energy: -129.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1504.474516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.474516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.474516 (E_RNA) where: Base-Base interactions energy: -1033.732 where: short stacking energy: -438.752 Base-Backbone interact. energy: -1.182 local terms energy: -469.559791 where: bonds (distance) C4'-P energy: -93.662 bonds (distance) P-C4' energy: -83.749 flat angles C4'-P-C4' energy: -99.252 flat angles P-C4'-P energy: -73.225 tors. eta vs tors. theta energy: -119.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1369.240366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.240366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.240366 (E_RNA) where: Base-Base interactions energy: -920.732 where: short stacking energy: -386.859 Base-Backbone interact. energy: 3.016 local terms energy: -451.524150 where: bonds (distance) C4'-P energy: -85.850 bonds (distance) P-C4' energy: -96.342 flat angles C4'-P-C4' energy: -102.506 flat angles P-C4'-P energy: -55.825 tors. eta vs tors. theta energy: -111.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1236.918047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.918047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.918047 (E_RNA) where: Base-Base interactions energy: -825.501 where: short stacking energy: -344.205 Base-Backbone interact. energy: 0.416 local terms energy: -411.833281 where: bonds (distance) C4'-P energy: -75.087 bonds (distance) P-C4' energy: -80.793 flat angles C4'-P-C4' energy: -96.210 flat angles P-C4'-P energy: -61.229 tors. eta vs tors. theta energy: -98.513 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: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -873.061402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.061402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.061402 (E_RNA) where: Base-Base interactions energy: -519.960 where: short stacking energy: -255.471 Base-Backbone interact. energy: -3.008 local terms energy: -350.093110 where: bonds (distance) C4'-P energy: -89.188 bonds (distance) P-C4' energy: -90.891 flat angles C4'-P-C4' energy: -72.167 flat angles P-C4'-P energy: -49.140 tors. eta vs tors. theta energy: -48.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -774.882205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.882205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.882205 (E_RNA) where: Base-Base interactions energy: -458.028 where: short stacking energy: -215.943 Base-Backbone interact. energy: 1.968 local terms energy: -318.822402 where: bonds (distance) C4'-P energy: -90.893 bonds (distance) P-C4' energy: -81.661 flat angles C4'-P-C4' energy: -79.657 flat angles P-C4'-P energy: -34.265 tors. eta vs tors. theta energy: -32.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -659.974541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.974541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.974541 (E_RNA) where: Base-Base interactions energy: -369.546 where: short stacking energy: -168.851 Base-Backbone interact. energy: 0.003 local terms energy: -290.431550 where: bonds (distance) C4'-P energy: -74.908 bonds (distance) P-C4' energy: -85.038 flat angles C4'-P-C4' energy: -81.107 flat angles P-C4'-P energy: -29.700 tors. eta vs tors. theta energy: -19.679 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: 10 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -547.291728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.291728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.291728 (E_RNA) where: Base-Base interactions energy: -285.657 where: short stacking energy: -150.353 Base-Backbone interact. energy: 1.655 local terms energy: -263.289436 where: bonds (distance) C4'-P energy: -69.877 bonds (distance) P-C4' energy: -66.452 flat angles C4'-P-C4' energy: -71.419 flat angles P-C4'-P energy: -48.701 tors. eta vs tors. theta energy: -6.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -408.244582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.244582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.244582 (E_RNA) where: Base-Base interactions energy: -184.434 where: short stacking energy: -116.885 Base-Backbone interact. energy: -0.626 local terms energy: -223.183907 where: bonds (distance) C4'-P energy: -64.115 bonds (distance) P-C4' energy: -83.162 flat angles C4'-P-C4' energy: -69.316 flat angles P-C4'-P energy: -24.760 tors. eta vs tors. theta energy: 18.169 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: 4 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1576.474637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.474637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.474637 (E_RNA) where: Base-Base interactions energy: -1079.016 where: short stacking energy: -442.105 Base-Backbone interact. energy: -2.010 local terms energy: -495.447830 where: bonds (distance) C4'-P energy: -88.368 bonds (distance) P-C4' energy: -98.034 flat angles C4'-P-C4' energy: -106.539 flat angles P-C4'-P energy: -72.951 tors. eta vs tors. theta energy: -129.556 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: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1526.836541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.836541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.836541 (E_RNA) where: Base-Base interactions energy: -1056.650 where: short stacking energy: -434.467 Base-Backbone interact. energy: -1.436 local terms energy: -468.750518 where: bonds (distance) C4'-P energy: -79.873 bonds (distance) P-C4' energy: -92.784 flat angles C4'-P-C4' energy: -99.606 flat angles P-C4'-P energy: -70.947 tors. eta vs tors. theta energy: -125.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1484.103473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.103473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.103473 (E_RNA) where: Base-Base interactions energy: -1006.186 where: short stacking energy: -421.546 Base-Backbone interact. energy: -3.452 local terms energy: -474.465323 where: bonds (distance) C4'-P energy: -92.565 bonds (distance) P-C4' energy: -92.747 flat angles C4'-P-C4' energy: -89.537 flat angles P-C4'-P energy: -66.134 tors. eta vs tors. theta energy: -133.483 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: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1358.301984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.301984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.301984 (E_RNA) where: Base-Base interactions energy: -912.296 where: short stacking energy: -394.239 Base-Backbone interact. energy: -0.824 local terms energy: -445.181848 where: bonds (distance) C4'-P energy: -85.128 bonds (distance) P-C4' energy: -84.204 flat angles C4'-P-C4' energy: -95.360 flat angles P-C4'-P energy: -61.272 tors. eta vs tors. theta energy: -119.218 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: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1270.116070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.116070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.116070 (E_RNA) where: Base-Base interactions energy: -853.293 where: short stacking energy: -370.377 Base-Backbone interact. energy: -1.043 local terms energy: -415.780081 where: bonds (distance) C4'-P energy: -62.979 bonds (distance) P-C4' energy: -90.888 flat angles C4'-P-C4' energy: -90.837 flat angles P-C4'-P energy: -66.687 tors. eta vs tors. theta energy: -104.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -909.842673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.842673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.842673 (E_RNA) where: Base-Base interactions energy: -547.549 where: short stacking energy: -269.777 Base-Backbone interact. energy: 0.040 local terms energy: -362.333575 where: bonds (distance) C4'-P energy: -77.708 bonds (distance) P-C4' energy: -82.277 flat angles C4'-P-C4' energy: -84.655 flat angles P-C4'-P energy: -61.042 tors. eta vs tors. theta energy: -56.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -923.076215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.076215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.076215 (E_RNA) where: Base-Base interactions energy: -559.533 where: short stacking energy: -267.409 Base-Backbone interact. energy: -2.301 local terms energy: -361.241893 where: bonds (distance) C4'-P energy: -89.308 bonds (distance) P-C4' energy: -71.526 flat angles C4'-P-C4' energy: -83.836 flat angles P-C4'-P energy: -49.769 tors. eta vs tors. theta energy: -66.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -680.203352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.203352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.203352 (E_RNA) where: Base-Base interactions energy: -394.089 where: short stacking energy: -187.113 Base-Backbone interact. energy: 0.339 local terms energy: -286.453021 where: bonds (distance) C4'-P energy: -69.409 bonds (distance) P-C4' energy: -78.111 flat angles C4'-P-C4' energy: -71.440 flat angles P-C4'-P energy: -43.943 tors. eta vs tors. theta energy: -23.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -580.743503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.743503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.743503 (E_RNA) where: Base-Base interactions energy: -294.279 where: short stacking energy: -165.329 Base-Backbone interact. energy: -0.958 local terms energy: -285.506698 where: bonds (distance) C4'-P energy: -69.770 bonds (distance) P-C4' energy: -87.879 flat angles C4'-P-C4' energy: -81.407 flat angles P-C4'-P energy: -51.144 tors. eta vs tors. theta energy: 4.693 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: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -464.178920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.178920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.178920 (E_RNA) where: Base-Base interactions energy: -221.224 where: short stacking energy: -139.167 Base-Backbone interact. energy: 1.993 local terms energy: -244.947937 where: bonds (distance) C4'-P energy: -70.518 bonds (distance) P-C4' energy: -86.773 flat angles C4'-P-C4' energy: -71.313 flat angles P-C4'-P energy: -35.241 tors. eta vs tors. theta energy: 18.897 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: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1572.002614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.002614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.002614 (E_RNA) where: Base-Base interactions energy: -1080.403 where: short stacking energy: -431.507 Base-Backbone interact. energy: -5.555 local terms energy: -486.044924 where: bonds (distance) C4'-P energy: -87.647 bonds (distance) P-C4' energy: -93.477 flat angles C4'-P-C4' energy: -107.882 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: -129.798 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: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1511.564564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.564564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.564564 (E_RNA) where: Base-Base interactions energy: -1041.813 where: short stacking energy: -414.019 Base-Backbone interact. energy: -4.602 local terms energy: -465.149782 where: bonds (distance) C4'-P energy: -81.035 bonds (distance) P-C4' energy: -95.684 flat angles C4'-P-C4' energy: -98.675 flat angles P-C4'-P energy: -63.360 tors. eta vs tors. theta energy: -126.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1484.602583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.602583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.602583 (E_RNA) where: Base-Base interactions energy: -1032.645 where: short stacking energy: -444.586 Base-Backbone interact. energy: -0.114 local terms energy: -451.843483 where: bonds (distance) C4'-P energy: -79.171 bonds (distance) P-C4' energy: -84.412 flat angles C4'-P-C4' energy: -98.889 flat angles P-C4'-P energy: -55.026 tors. eta vs tors. theta energy: -134.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1367.175156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.175156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.175156 (E_RNA) where: Base-Base interactions energy: -908.017 where: short stacking energy: -400.548 Base-Backbone interact. energy: -1.099 local terms energy: -458.059020 where: bonds (distance) C4'-P energy: -86.777 bonds (distance) P-C4' energy: -85.366 flat angles C4'-P-C4' energy: -96.104 flat angles P-C4'-P energy: -64.621 tors. eta vs tors. theta energy: -125.191 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: 182 Temperature: 1.100000 Total energy: -1258.655753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.655753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.655753 (E_RNA) where: Base-Base interactions energy: -855.033 where: short stacking energy: -371.558 Base-Backbone interact. energy: -3.657 local terms energy: -399.966592 where: bonds (distance) C4'-P energy: -61.057 bonds (distance) P-C4' energy: -75.084 flat angles C4'-P-C4' energy: -94.038 flat angles P-C4'-P energy: -61.993 tors. eta vs tors. theta energy: -107.795 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: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -902.961693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.961693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.961693 (E_RNA) where: Base-Base interactions energy: -547.487 where: short stacking energy: -270.110 Base-Backbone interact. energy: 3.877 local terms energy: -359.351030 where: bonds (distance) C4'-P energy: -77.057 bonds (distance) P-C4' energy: -82.179 flat angles C4'-P-C4' energy: -93.028 flat angles P-C4'-P energy: -55.229 tors. eta vs tors. theta energy: -51.859 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: 1 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -859.152665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.152665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.152665 (E_RNA) where: Base-Base interactions energy: -508.563 where: short stacking energy: -262.335 Base-Backbone interact. energy: 1.353 local terms energy: -351.942573 where: bonds (distance) C4'-P energy: -91.838 bonds (distance) P-C4' energy: -81.690 flat angles C4'-P-C4' energy: -78.866 flat angles P-C4'-P energy: -51.354 tors. eta vs tors. theta energy: -48.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -691.040534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.040534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.040534 (E_RNA) where: Base-Base interactions energy: -392.990 where: short stacking energy: -211.921 Base-Backbone interact. energy: 0.884 local terms energy: -298.934989 where: bonds (distance) C4'-P energy: -72.218 bonds (distance) P-C4' energy: -86.904 flat angles C4'-P-C4' energy: -69.738 flat angles P-C4'-P energy: -33.749 tors. eta vs tors. theta energy: -36.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -541.329139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.329139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.329139 (E_RNA) where: Base-Base interactions energy: -277.594 where: short stacking energy: -173.431 Base-Backbone interact. energy: 3.840 local terms energy: -267.575287 where: bonds (distance) C4'-P energy: -68.396 bonds (distance) P-C4' energy: -75.901 flat angles C4'-P-C4' energy: -65.115 flat angles P-C4'-P energy: -51.173 tors. eta vs tors. theta energy: -6.991 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: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -477.929083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.929083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.929083 (E_RNA) where: Base-Base interactions energy: -237.694 where: short stacking energy: -127.204 Base-Backbone interact. energy: 3.254 local terms energy: -243.488527 where: bonds (distance) C4'-P energy: -75.210 bonds (distance) P-C4' energy: -78.240 flat angles C4'-P-C4' energy: -59.037 flat angles P-C4'-P energy: -28.876 tors. eta vs tors. theta energy: -2.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1545.940195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.940195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.940195 (E_RNA) where: Base-Base interactions energy: -1050.800 where: short stacking energy: -439.817 Base-Backbone interact. energy: -1.928 local terms energy: -493.212128 where: bonds (distance) C4'-P energy: -94.295 bonds (distance) P-C4' energy: -99.406 flat angles C4'-P-C4' energy: -105.538 flat angles P-C4'-P energy: -61.350 tors. eta vs tors. theta energy: -132.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1544.853570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.853570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.853570 (E_RNA) where: Base-Base interactions energy: -1085.006 where: short stacking energy: -441.299 Base-Backbone interact. energy: -1.937 local terms energy: -457.910173 where: bonds (distance) C4'-P energy: -76.999 bonds (distance) P-C4' energy: -90.411 flat angles C4'-P-C4' energy: -98.432 flat angles P-C4'-P energy: -62.190 tors. eta vs tors. theta energy: -129.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1496.160635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.160635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.160635 (E_RNA) where: Base-Base interactions energy: -1043.225 where: short stacking energy: -431.474 Base-Backbone interact. energy: -2.662 local terms energy: -450.274336 where: bonds (distance) C4'-P energy: -81.079 bonds (distance) P-C4' energy: -96.127 flat angles C4'-P-C4' energy: -93.258 flat angles P-C4'-P energy: -52.999 tors. eta vs tors. theta energy: -126.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1362.078600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.078600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.078600 (E_RNA) where: Base-Base interactions energy: -931.924 where: short stacking energy: -397.287 Base-Backbone interact. energy: -1.485 local terms energy: -428.669613 where: bonds (distance) C4'-P energy: -72.881 bonds (distance) P-C4' energy: -83.246 flat angles C4'-P-C4' energy: -97.573 flat angles P-C4'-P energy: -56.796 tors. eta vs tors. theta energy: -118.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1259.756999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.756999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.756999 (E_RNA) where: Base-Base interactions energy: -842.313 where: short stacking energy: -376.866 Base-Backbone interact. energy: -2.459 local terms energy: -414.984621 where: bonds (distance) C4'-P energy: -73.717 bonds (distance) P-C4' energy: -77.354 flat angles C4'-P-C4' energy: -92.217 flat angles P-C4'-P energy: -60.105 tors. eta vs tors. theta energy: -111.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -906.229967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.229967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.229967 (E_RNA) where: Base-Base interactions energy: -557.186 where: short stacking energy: -263.942 Base-Backbone interact. energy: -1.544 local terms energy: -347.499847 where: bonds (distance) C4'-P energy: -80.231 bonds (distance) P-C4' energy: -83.613 flat angles C4'-P-C4' energy: -83.834 flat angles P-C4'-P energy: -47.075 tors. eta vs tors. theta energy: -52.747 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: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -836.591687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.591687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.591687 (E_RNA) where: Base-Base interactions energy: -507.577 where: short stacking energy: -246.480 Base-Backbone interact. energy: -1.046 local terms energy: -327.968460 where: bonds (distance) C4'-P energy: -96.382 bonds (distance) P-C4' energy: -82.484 flat angles C4'-P-C4' energy: -57.191 flat angles P-C4'-P energy: -41.066 tors. eta vs tors. theta energy: -50.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -644.602344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.602344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.602344 (E_RNA) where: Base-Base interactions energy: -322.046 where: short stacking energy: -165.081 Base-Backbone interact. energy: -2.064 local terms energy: -320.492082 where: bonds (distance) C4'-P energy: -88.592 bonds (distance) P-C4' energy: -75.902 flat angles C4'-P-C4' energy: -80.042 flat angles P-C4'-P energy: -53.240 tors. eta vs tors. theta energy: -22.715 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: 10 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -556.551247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.551247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.551247 (E_RNA) where: Base-Base interactions energy: -271.578 where: short stacking energy: -152.413 Base-Backbone interact. energy: -2.232 local terms energy: -282.741369 where: bonds (distance) C4'-P energy: -73.669 bonds (distance) P-C4' energy: -87.165 flat angles C4'-P-C4' energy: -67.659 flat angles P-C4'-P energy: -39.092 tors. eta vs tors. theta energy: -15.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -435.695195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.695195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.695195 (E_RNA) where: Base-Base interactions energy: -204.550 where: short stacking energy: -133.380 Base-Backbone interact. energy: -1.091 local terms energy: -230.054353 where: bonds (distance) C4'-P energy: -84.682 bonds (distance) P-C4' energy: -68.153 flat angles C4'-P-C4' energy: -61.445 flat angles P-C4'-P energy: -33.971 tors. eta vs tors. theta energy: 18.197 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: 4 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1582.019521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.019521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.019521 (E_RNA) where: Base-Base interactions energy: -1081.587 where: short stacking energy: -449.005 Base-Backbone interact. energy: -2.644 local terms energy: -497.788592 where: bonds (distance) C4'-P energy: -94.014 bonds (distance) P-C4' energy: -87.116 flat angles C4'-P-C4' energy: -106.706 flat angles P-C4'-P energy: -66.469 tors. eta vs tors. theta energy: -143.483 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: 2, replica: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1540.288930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.288930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.288930 (E_RNA) where: Base-Base interactions energy: -1044.637 where: short stacking energy: -449.441 Base-Backbone interact. energy: -3.152 local terms energy: -492.499601 where: bonds (distance) C4'-P energy: -91.240 bonds (distance) P-C4' energy: -93.100 flat angles C4'-P-C4' energy: -100.744 flat angles P-C4'-P energy: -70.746 tors. eta vs tors. theta energy: -136.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1414.403460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.403460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.403460 (E_RNA) where: Base-Base interactions energy: -954.182 where: short stacking energy: -408.242 Base-Backbone interact. energy: -1.961 local terms energy: -458.259633 where: bonds (distance) C4'-P energy: -82.314 bonds (distance) P-C4' energy: -91.369 flat angles C4'-P-C4' energy: -97.357 flat angles P-C4'-P energy: -67.138 tors. eta vs tors. theta energy: -120.082 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: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1442.744705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.744705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.744705 (E_RNA) where: Base-Base interactions energy: -984.815 where: short stacking energy: -413.439 Base-Backbone interact. energy: -1.357 local terms energy: -456.572969 where: bonds (distance) C4'-P energy: -77.872 bonds (distance) P-C4' energy: -90.565 flat angles C4'-P-C4' energy: -97.534 flat angles P-C4'-P energy: -66.312 tors. eta vs tors. theta energy: -124.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1267.527992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.527992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.527992 (E_RNA) where: Base-Base interactions energy: -821.082 where: short stacking energy: -357.086 Base-Backbone interact. energy: -0.758 local terms energy: -445.688272 where: bonds (distance) C4'-P energy: -76.249 bonds (distance) P-C4' energy: -77.521 flat angles C4'-P-C4' energy: -104.820 flat angles P-C4'-P energy: -68.012 tors. eta vs tors. theta energy: -119.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -912.902821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.902821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.902821 (E_RNA) where: Base-Base interactions energy: -528.553 where: short stacking energy: -265.717 Base-Backbone interact. energy: -1.563 local terms energy: -382.787365 where: bonds (distance) C4'-P energy: -87.278 bonds (distance) P-C4' energy: -77.525 flat angles C4'-P-C4' energy: -89.307 flat angles P-C4'-P energy: -59.468 tors. eta vs tors. theta energy: -69.210 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: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -830.169902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.169902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.169902 (E_RNA) where: Base-Base interactions energy: -526.361 where: short stacking energy: -228.307 Base-Backbone interact. energy: -2.963 local terms energy: -300.845761 where: bonds (distance) C4'-P energy: -68.774 bonds (distance) P-C4' energy: -72.686 flat angles C4'-P-C4' energy: -62.403 flat angles P-C4'-P energy: -55.777 tors. eta vs tors. theta energy: -41.206 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: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -643.231634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.231634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.231634 (E_RNA) where: Base-Base interactions energy: -338.483 where: short stacking energy: -183.813 Base-Backbone interact. energy: -0.305 local terms energy: -304.443273 where: bonds (distance) C4'-P energy: -71.912 bonds (distance) P-C4' energy: -97.915 flat angles C4'-P-C4' energy: -69.501 flat angles P-C4'-P energy: -48.746 tors. eta vs tors. theta energy: -16.368 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: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -564.580259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.580259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.580259 (E_RNA) where: Base-Base interactions energy: -293.000 where: short stacking energy: -156.614 Base-Backbone interact. energy: -5.245 local terms energy: -266.335884 where: bonds (distance) C4'-P energy: -77.847 bonds (distance) P-C4' energy: -82.236 flat angles C4'-P-C4' energy: -69.242 flat angles P-C4'-P energy: -39.123 tors. eta vs tors. theta energy: 2.112 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: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -428.082494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.082494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.082494 (E_RNA) where: Base-Base interactions energy: -219.654 where: short stacking energy: -132.195 Base-Backbone interact. energy: 2.260 local terms energy: -210.688390 where: bonds (distance) C4'-P energy: -64.425 bonds (distance) P-C4' energy: -73.917 flat angles C4'-P-C4' energy: -61.458 flat angles P-C4'-P energy: -27.077 tors. eta vs tors. theta energy: 16.190 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: 4 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1584.547928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.547928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.547928 (E_RNA) where: Base-Base interactions energy: -1091.169 where: short stacking energy: -449.951 Base-Backbone interact. energy: -2.387 local terms energy: -490.991797 where: bonds (distance) C4'-P energy: -87.674 bonds (distance) P-C4' energy: -92.320 flat angles C4'-P-C4' energy: -104.924 flat angles P-C4'-P energy: -68.574 tors. eta vs tors. theta energy: -137.500 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: 2 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1538.254415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.254415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.254415 (E_RNA) where: Base-Base interactions energy: -1075.668 where: short stacking energy: -447.951 Base-Backbone interact. energy: -2.335 local terms energy: -460.252054 where: bonds (distance) C4'-P energy: -88.706 bonds (distance) P-C4' energy: -78.013 flat angles C4'-P-C4' energy: -101.736 flat angles P-C4'-P energy: -57.467 tors. eta vs tors. theta energy: -134.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1411.666470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.666470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.666470 (E_RNA) where: Base-Base interactions energy: -959.339 where: short stacking energy: -395.252 Base-Backbone interact. energy: -1.865 local terms energy: -450.462175 where: bonds (distance) C4'-P energy: -88.645 bonds (distance) P-C4' energy: -96.206 flat angles C4'-P-C4' energy: -92.742 flat angles P-C4'-P energy: -52.462 tors. eta vs tors. theta energy: -120.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1456.902177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.902177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.902177 (E_RNA) where: Base-Base interactions energy: -991.932 where: short stacking energy: -424.662 Base-Backbone interact. energy: -2.312 local terms energy: -462.658504 where: bonds (distance) C4'-P energy: -79.842 bonds (distance) P-C4' energy: -88.655 flat angles C4'-P-C4' energy: -99.831 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -130.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1207.970624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.970624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.970624 (E_RNA) where: Base-Base interactions energy: -811.631 where: short stacking energy: -355.546 Base-Backbone interact. energy: -1.936 local terms energy: -394.404200 where: bonds (distance) C4'-P energy: -68.102 bonds (distance) P-C4' energy: -80.932 flat angles C4'-P-C4' energy: -88.007 flat angles P-C4'-P energy: -57.356 tors. eta vs tors. theta energy: -100.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -892.947555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.947555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.947555 (E_RNA) where: Base-Base interactions energy: -563.077 where: short stacking energy: -262.179 Base-Backbone interact. energy: -2.801 local terms energy: -327.068997 where: bonds (distance) C4'-P energy: -72.643 bonds (distance) P-C4' energy: -81.472 flat angles C4'-P-C4' energy: -84.672 flat angles P-C4'-P energy: -46.515 tors. eta vs tors. theta energy: -41.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -777.315080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.315080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.315080 (E_RNA) where: Base-Base interactions energy: -455.861 where: short stacking energy: -223.851 Base-Backbone interact. energy: -1.235 local terms energy: -320.218672 where: bonds (distance) C4'-P energy: -76.308 bonds (distance) P-C4' energy: -80.440 flat angles C4'-P-C4' energy: -63.594 flat angles P-C4'-P energy: -60.114 tors. eta vs tors. theta energy: -39.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -597.462530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.462530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.462530 (E_RNA) where: Base-Base interactions energy: -297.557 where: short stacking energy: -172.008 Base-Backbone interact. energy: 2.696 local terms energy: -302.601192 where: bonds (distance) C4'-P energy: -61.581 bonds (distance) P-C4' energy: -88.823 flat angles C4'-P-C4' energy: -78.177 flat angles P-C4'-P energy: -53.105 tors. eta vs tors. theta energy: -20.916 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: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -591.795649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.795649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.795649 (E_RNA) where: Base-Base interactions energy: -312.786 where: short stacking energy: -155.305 Base-Backbone interact. energy: 0.878 local terms energy: -279.887304 where: bonds (distance) C4'-P energy: -74.338 bonds (distance) P-C4' energy: -79.546 flat angles C4'-P-C4' energy: -69.488 flat angles P-C4'-P energy: -43.761 tors. eta vs tors. theta energy: -12.754 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: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -391.766429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.766429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.766429 (E_RNA) where: Base-Base interactions energy: -167.444 where: short stacking energy: -101.920 Base-Backbone interact. energy: -0.594 local terms energy: -223.728727 where: bonds (distance) C4'-P energy: -64.007 bonds (distance) P-C4' energy: -80.994 flat angles C4'-P-C4' energy: -62.470 flat angles P-C4'-P energy: -31.532 tors. eta vs tors. theta energy: 15.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1573.028921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.028921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.028921 (E_RNA) where: Base-Base interactions energy: -1066.259 where: short stacking energy: -428.334 Base-Backbone interact. energy: -3.502 local terms energy: -503.267746 where: bonds (distance) C4'-P energy: -101.568 bonds (distance) P-C4' energy: -91.596 flat angles C4'-P-C4' energy: -108.887 flat angles P-C4'-P energy: -69.197 tors. eta vs tors. theta energy: -132.019 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: 2, replica: 2 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1561.154614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.154614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.154614 (E_RNA) where: Base-Base interactions energy: -1066.871 where: short stacking energy: -482.442 Base-Backbone interact. energy: 0.317 local terms energy: -494.601022 where: bonds (distance) C4'-P energy: -83.015 bonds (distance) P-C4' energy: -99.185 flat angles C4'-P-C4' energy: -104.497 flat angles P-C4'-P energy: -72.850 tors. eta vs tors. theta energy: -135.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1490.012751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.012751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.012751 (E_RNA) where: Base-Base interactions energy: -1022.543 where: short stacking energy: -414.274 Base-Backbone interact. energy: -2.508 local terms energy: -464.961937 where: bonds (distance) C4'-P energy: -92.784 bonds (distance) P-C4' energy: -78.786 flat angles C4'-P-C4' energy: -104.955 flat angles P-C4'-P energy: -68.426 tors. eta vs tors. theta energy: -120.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1428.301750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.301750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.301750 (E_RNA) where: Base-Base interactions energy: -962.143 where: short stacking energy: -409.945 Base-Backbone interact. energy: -0.664 local terms energy: -465.494377 where: bonds (distance) C4'-P energy: -82.930 bonds (distance) P-C4' energy: -93.603 flat angles C4'-P-C4' energy: -98.153 flat angles P-C4'-P energy: -63.029 tors. eta vs tors. theta energy: -127.780 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: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1244.256399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.256399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.256399 (E_RNA) where: Base-Base interactions energy: -831.510 where: short stacking energy: -370.645 Base-Backbone interact. energy: -2.128 local terms energy: -410.618942 where: bonds (distance) C4'-P energy: -79.172 bonds (distance) P-C4' energy: -72.477 flat angles C4'-P-C4' energy: -84.713 flat angles P-C4'-P energy: -68.638 tors. eta vs tors. theta energy: -105.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -862.294980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.294980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.294980 (E_RNA) where: Base-Base interactions energy: -517.075 where: short stacking energy: -267.791 Base-Backbone interact. energy: 0.137 local terms energy: -345.356249 where: bonds (distance) C4'-P energy: -85.828 bonds (distance) P-C4' energy: -70.221 flat angles C4'-P-C4' energy: -84.932 flat angles P-C4'-P energy: -45.093 tors. eta vs tors. theta energy: -59.283 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: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -763.345549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.345549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.345549 (E_RNA) where: Base-Base interactions energy: -453.196 where: short stacking energy: -227.003 Base-Backbone interact. energy: -1.517 local terms energy: -308.632534 where: bonds (distance) C4'-P energy: -68.411 bonds (distance) P-C4' energy: -79.182 flat angles C4'-P-C4' energy: -80.963 flat angles P-C4'-P energy: -42.594 tors. eta vs tors. theta energy: -37.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -585.738740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.738740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.738740 (E_RNA) where: Base-Base interactions energy: -293.543 where: short stacking energy: -167.753 Base-Backbone interact. energy: -0.802 local terms energy: -291.394488 where: bonds (distance) C4'-P energy: -73.206 bonds (distance) P-C4' energy: -76.045 flat angles C4'-P-C4' energy: -86.827 flat angles P-C4'-P energy: -44.113 tors. eta vs tors. theta energy: -11.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -607.492054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.492054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.492054 (E_RNA) where: Base-Base interactions energy: -347.324 where: short stacking energy: -179.168 Base-Backbone interact. energy: 4.047 local terms energy: -264.215587 where: bonds (distance) C4'-P energy: -70.299 bonds (distance) P-C4' energy: -77.588 flat angles C4'-P-C4' energy: -65.612 flat angles P-C4'-P energy: -38.953 tors. eta vs tors. theta energy: -11.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -336.091396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.091396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.091396 (E_RNA) where: Base-Base interactions energy: -97.979 where: short stacking energy: -87.352 Base-Backbone interact. energy: -2.159 local terms energy: -235.954104 where: bonds (distance) C4'-P energy: -95.001 bonds (distance) P-C4' energy: -64.872 flat angles C4'-P-C4' energy: -60.933 flat angles P-C4'-P energy: -28.910 tors. eta vs tors. theta energy: 13.761 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: 4 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1549.036960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.036960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.036960 (E_RNA) where: Base-Base interactions energy: -1053.212 where: short stacking energy: -452.141 Base-Backbone interact. energy: -3.718 local terms energy: -492.107027 where: bonds (distance) C4'-P energy: -90.254 bonds (distance) P-C4' energy: -93.599 flat angles C4'-P-C4' energy: -110.552 flat angles P-C4'-P energy: -66.880 tors. eta vs tors. theta energy: -130.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1519.407558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.407558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.407558 (E_RNA) where: Base-Base interactions energy: -1025.069 where: short stacking energy: -431.149 Base-Backbone interact. energy: -0.484 local terms energy: -493.854760 where: bonds (distance) C4'-P energy: -93.466 bonds (distance) P-C4' energy: -94.833 flat angles C4'-P-C4' energy: -92.026 flat angles P-C4'-P energy: -74.156 tors. eta vs tors. theta energy: -139.374 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: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1461.524339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.524339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.524339 (E_RNA) where: Base-Base interactions energy: -1019.143 where: short stacking energy: -427.402 Base-Backbone interact. energy: -1.991 local terms energy: -440.390306 where: bonds (distance) C4'-P energy: -75.075 bonds (distance) P-C4' energy: -73.919 flat angles C4'-P-C4' energy: -93.861 flat angles P-C4'-P energy: -69.926 tors. eta vs tors. theta energy: -127.610 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: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1403.241433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.241433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.241433 (E_RNA) where: Base-Base interactions energy: -938.735 where: short stacking energy: -403.603 Base-Backbone interact. energy: -1.635 local terms energy: -462.870689 where: bonds (distance) C4'-P energy: -94.752 bonds (distance) P-C4' energy: -82.821 flat angles C4'-P-C4' energy: -98.382 flat angles P-C4'-P energy: -65.792 tors. eta vs tors. theta energy: -121.124 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: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1304.926275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.926275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.926275 (E_RNA) where: Base-Base interactions energy: -871.655 where: short stacking energy: -386.151 Base-Backbone interact. energy: 3.093 local terms energy: -436.365130 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -90.551 flat angles C4'-P-C4' energy: -91.947 flat angles P-C4'-P energy: -56.828 tors. eta vs tors. theta energy: -123.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -874.233246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.233246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.233246 (E_RNA) where: Base-Base interactions energy: -513.390 where: short stacking energy: -258.985 Base-Backbone interact. energy: 2.478 local terms energy: -363.321529 where: bonds (distance) C4'-P energy: -72.665 bonds (distance) P-C4' energy: -83.896 flat angles C4'-P-C4' energy: -86.539 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -66.591 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: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -834.275631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.275631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.275631 (E_RNA) where: Base-Base interactions energy: -497.428 where: short stacking energy: -232.977 Base-Backbone interact. energy: -1.303 local terms energy: -335.544343 where: bonds (distance) C4'-P energy: -84.674 bonds (distance) P-C4' energy: -87.206 flat angles C4'-P-C4' energy: -65.147 flat angles P-C4'-P energy: -55.924 tors. eta vs tors. theta energy: -42.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -585.970980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.970980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.970980 (E_RNA) where: Base-Base interactions energy: -299.574 where: short stacking energy: -147.459 Base-Backbone interact. energy: -1.012 local terms energy: -285.384582 where: bonds (distance) C4'-P energy: -84.243 bonds (distance) P-C4' energy: -79.233 flat angles C4'-P-C4' energy: -68.096 flat angles P-C4'-P energy: -47.598 tors. eta vs tors. theta energy: -6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -555.050495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.050495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.050495 (E_RNA) where: Base-Base interactions energy: -310.714 where: short stacking energy: -168.905 Base-Backbone interact. energy: 3.319 local terms energy: -247.654710 where: bonds (distance) C4'-P energy: -71.258 bonds (distance) P-C4' energy: -64.697 flat angles C4'-P-C4' energy: -68.165 flat angles P-C4'-P energy: -32.928 tors. eta vs tors. theta energy: -10.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -375.089442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.089442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.089442 (E_RNA) where: Base-Base interactions energy: -122.560 where: short stacking energy: -101.981 Base-Backbone interact. energy: -3.110 local terms energy: -249.419241 where: bonds (distance) C4'-P energy: -65.978 bonds (distance) P-C4' energy: -85.982 flat angles C4'-P-C4' energy: -73.771 flat angles P-C4'-P energy: -28.660 tors. eta vs tors. theta energy: 4.971 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: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1550.389029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.389029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.389029 (E_RNA) where: Base-Base interactions energy: -1066.705 where: short stacking energy: -447.289 Base-Backbone interact. energy: -0.242 local terms energy: -483.441911 where: bonds (distance) C4'-P energy: -84.740 bonds (distance) P-C4' energy: -85.861 flat angles C4'-P-C4' energy: -108.496 flat angles P-C4'-P energy: -71.629 tors. eta vs tors. theta energy: -132.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1524.356567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.356567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.356567 (E_RNA) where: Base-Base interactions energy: -1064.229 where: short stacking energy: -437.814 Base-Backbone interact. energy: -2.288 local terms energy: -457.839862 where: bonds (distance) C4'-P energy: -87.670 bonds (distance) P-C4' energy: -89.550 flat angles C4'-P-C4' energy: -93.719 flat angles P-C4'-P energy: -61.013 tors. eta vs tors. theta energy: -125.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1483.761607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.761607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.761607 (E_RNA) where: Base-Base interactions energy: -1008.816 where: short stacking energy: -414.121 Base-Backbone interact. energy: 1.867 local terms energy: -476.812357 where: bonds (distance) C4'-P energy: -85.053 bonds (distance) P-C4' energy: -96.101 flat angles C4'-P-C4' energy: -96.427 flat angles P-C4'-P energy: -71.521 tors. eta vs tors. theta energy: -127.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1415.924251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.924251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.924251 (E_RNA) where: Base-Base interactions energy: -951.967 where: short stacking energy: -396.589 Base-Backbone interact. energy: -2.407 local terms energy: -461.551080 where: bonds (distance) C4'-P energy: -85.491 bonds (distance) P-C4' energy: -89.186 flat angles C4'-P-C4' energy: -92.315 flat angles P-C4'-P energy: -72.318 tors. eta vs tors. theta energy: -122.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1275.785917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.785917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.785917 (E_RNA) where: Base-Base interactions energy: -847.157 where: short stacking energy: -344.745 Base-Backbone interact. energy: 1.919 local terms energy: -430.548338 where: bonds (distance) C4'-P energy: -86.535 bonds (distance) P-C4' energy: -94.284 flat angles C4'-P-C4' energy: -94.009 flat angles P-C4'-P energy: -56.994 tors. eta vs tors. theta energy: -98.726 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: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -865.275263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.275263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.275263 (E_RNA) where: Base-Base interactions energy: -507.996 where: short stacking energy: -267.955 Base-Backbone interact. energy: 1.259 local terms energy: -358.538689 where: bonds (distance) C4'-P energy: -68.612 bonds (distance) P-C4' energy: -84.591 flat angles C4'-P-C4' energy: -80.549 flat angles P-C4'-P energy: -59.845 tors. eta vs tors. theta energy: -64.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -827.952465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.952465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.952465 (E_RNA) where: Base-Base interactions energy: -494.199 where: short stacking energy: -236.383 Base-Backbone interact. energy: -1.049 local terms energy: -332.704539 where: bonds (distance) C4'-P energy: -82.718 bonds (distance) P-C4' energy: -86.349 flat angles C4'-P-C4' energy: -72.045 flat angles P-C4'-P energy: -50.875 tors. eta vs tors. theta energy: -40.718 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: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -561.265718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.265718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.265718 (E_RNA) where: Base-Base interactions energy: -294.456 where: short stacking energy: -175.287 Base-Backbone interact. energy: -4.416 local terms energy: -262.393634 where: bonds (distance) C4'-P energy: -67.256 bonds (distance) P-C4' energy: -80.141 flat angles C4'-P-C4' energy: -81.987 flat angles P-C4'-P energy: -24.293 tors. eta vs tors. theta energy: -8.718 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: 10 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -564.049883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.049883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.049883 (E_RNA) where: Base-Base interactions energy: -289.111 where: short stacking energy: -170.236 Base-Backbone interact. energy: 1.057 local terms energy: -275.995768 where: bonds (distance) C4'-P energy: -71.040 bonds (distance) P-C4' energy: -83.790 flat angles C4'-P-C4' energy: -76.083 flat angles P-C4'-P energy: -34.663 tors. eta vs tors. theta energy: -10.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -352.629377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.629377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.629377 (E_RNA) where: Base-Base interactions energy: -113.143 where: short stacking energy: -93.890 Base-Backbone interact. energy: -1.645 local terms energy: -237.841555 where: bonds (distance) C4'-P energy: -76.362 bonds (distance) P-C4' energy: -79.953 flat angles C4'-P-C4' energy: -69.508 flat angles P-C4'-P energy: -36.033 tors. eta vs tors. theta energy: 24.015 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: 1, replica: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1557.455602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.455602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.455602 (E_RNA) where: Base-Base interactions energy: -1085.873 where: short stacking energy: -435.996 Base-Backbone interact. energy: -0.124 local terms energy: -471.457965 where: bonds (distance) C4'-P energy: -85.528 bonds (distance) P-C4' energy: -83.447 flat angles C4'-P-C4' energy: -100.969 flat angles P-C4'-P energy: -67.179 tors. eta vs tors. theta energy: -134.336 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: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1524.048094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.048094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.048094 (E_RNA) where: Base-Base interactions energy: -1033.235 where: short stacking energy: -438.169 Base-Backbone interact. energy: -0.941 local terms energy: -489.872625 where: bonds (distance) C4'-P energy: -91.650 bonds (distance) P-C4' energy: -83.776 flat angles C4'-P-C4' energy: -102.121 flat angles P-C4'-P energy: -79.049 tors. eta vs tors. theta energy: -133.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1469.574446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.574446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.574446 (E_RNA) where: Base-Base interactions energy: -1006.643 where: short stacking energy: -413.484 Base-Backbone interact. energy: -2.704 local terms energy: -460.227623 where: bonds (distance) C4'-P energy: -86.028 bonds (distance) P-C4' energy: -79.878 flat angles C4'-P-C4' energy: -105.639 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -121.993 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: 4, replica: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1421.516792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.516792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.516792 (E_RNA) where: Base-Base interactions energy: -976.757 where: short stacking energy: -410.231 Base-Backbone interact. energy: -1.196 local terms energy: -443.563814 where: bonds (distance) C4'-P energy: -66.637 bonds (distance) P-C4' energy: -90.659 flat angles C4'-P-C4' energy: -92.799 flat angles P-C4'-P energy: -67.294 tors. eta vs tors. theta energy: -126.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1267.552558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.552558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.552558 (E_RNA) where: Base-Base interactions energy: -861.995 where: short stacking energy: -373.074 Base-Backbone interact. energy: 0.177 local terms energy: -405.734264 where: bonds (distance) C4'-P energy: -71.183 bonds (distance) P-C4' energy: -80.257 flat angles C4'-P-C4' energy: -86.768 flat angles P-C4'-P energy: -57.681 tors. eta vs tors. theta energy: -109.845 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: 1 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -891.058729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.058729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.058729 (E_RNA) where: Base-Base interactions energy: -555.057 where: short stacking energy: -251.264 Base-Backbone interact. energy: -1.107 local terms energy: -334.894310 where: bonds (distance) C4'-P energy: -82.318 bonds (distance) P-C4' energy: -75.915 flat angles C4'-P-C4' energy: -88.905 flat angles P-C4'-P energy: -48.192 tors. eta vs tors. theta energy: -39.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -850.324536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.324536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.324536 (E_RNA) where: Base-Base interactions energy: -514.804 where: short stacking energy: -245.360 Base-Backbone interact. energy: 2.340 local terms energy: -337.861028 where: bonds (distance) C4'-P energy: -75.330 bonds (distance) P-C4' energy: -72.218 flat angles C4'-P-C4' energy: -84.549 flat angles P-C4'-P energy: -50.283 tors. eta vs tors. theta energy: -55.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -606.151672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.151672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.151672 (E_RNA) where: Base-Base interactions energy: -327.890 where: short stacking energy: -185.887 Base-Backbone interact. energy: -2.925 local terms energy: -275.336548 where: bonds (distance) C4'-P energy: -91.616 bonds (distance) P-C4' energy: -73.020 flat angles C4'-P-C4' energy: -54.571 flat angles P-C4'-P energy: -39.730 tors. eta vs tors. theta energy: -16.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -539.849312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.849312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.849312 (E_RNA) where: Base-Base interactions energy: -288.469 where: short stacking energy: -133.462 Base-Backbone interact. energy: -0.834 local terms energy: -250.546641 where: bonds (distance) C4'-P energy: -64.684 bonds (distance) P-C4' energy: -84.510 flat angles C4'-P-C4' energy: -65.710 flat angles P-C4'-P energy: -45.334 tors. eta vs tors. theta energy: 9.693 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: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -394.201482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.201482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.201482 (E_RNA) where: Base-Base interactions energy: -161.055 where: short stacking energy: -109.815 Base-Backbone interact. energy: 0.666 local terms energy: -233.812782 where: bonds (distance) C4'-P energy: -75.352 bonds (distance) P-C4' energy: -79.516 flat angles C4'-P-C4' energy: -56.893 flat angles P-C4'-P energy: -43.457 tors. eta vs tors. theta energy: 21.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1574.529660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.529660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.529660 (E_RNA) where: Base-Base interactions energy: -1068.209 where: short stacking energy: -442.989 Base-Backbone interact. energy: -1.500 local terms energy: -504.820174 where: bonds (distance) C4'-P energy: -83.844 bonds (distance) P-C4' energy: -101.640 flat angles C4'-P-C4' energy: -106.176 flat angles P-C4'-P energy: -79.001 tors. eta vs tors. theta energy: -134.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1515.292780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.292780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.292780 (E_RNA) where: Base-Base interactions energy: -1057.815 where: short stacking energy: -443.172 Base-Backbone interact. energy: -0.701 local terms energy: -456.777245 where: bonds (distance) C4'-P energy: -82.656 bonds (distance) P-C4' energy: -89.805 flat angles C4'-P-C4' energy: -94.964 flat angles P-C4'-P energy: -60.502 tors. eta vs tors. theta energy: -128.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1478.994431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.994431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.994431 (E_RNA) where: Base-Base interactions energy: -990.450 where: short stacking energy: -415.208 Base-Backbone interact. energy: -1.217 local terms energy: -487.327026 where: bonds (distance) C4'-P energy: -91.013 bonds (distance) P-C4' energy: -91.178 flat angles C4'-P-C4' energy: -108.055 flat angles P-C4'-P energy: -71.675 tors. eta vs tors. theta energy: -125.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1402.421066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.421066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.421066 (E_RNA) where: Base-Base interactions energy: -935.354 where: short stacking energy: -416.325 Base-Backbone interact. energy: -1.986 local terms energy: -465.080906 where: bonds (distance) C4'-P energy: -88.235 bonds (distance) P-C4' energy: -91.776 flat angles C4'-P-C4' energy: -91.748 flat angles P-C4'-P energy: -60.969 tors. eta vs tors. theta energy: -132.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1313.274197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.274197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.274197 (E_RNA) where: Base-Base interactions energy: -879.966 where: short stacking energy: -365.731 Base-Backbone interact. energy: -3.089 local terms energy: -430.218816 where: bonds (distance) C4'-P energy: -86.736 bonds (distance) P-C4' energy: -82.180 flat angles C4'-P-C4' energy: -92.075 flat angles P-C4'-P energy: -59.927 tors. eta vs tors. theta energy: -109.301 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: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -894.816681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.816681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.816681 (E_RNA) where: Base-Base interactions energy: -530.473 where: short stacking energy: -267.980 Base-Backbone interact. energy: -1.364 local terms energy: -362.980535 where: bonds (distance) C4'-P energy: -87.632 bonds (distance) P-C4' energy: -89.179 flat angles C4'-P-C4' energy: -85.798 flat angles P-C4'-P energy: -48.895 tors. eta vs tors. theta energy: -51.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -850.483982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.483982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.483982 (E_RNA) where: Base-Base interactions energy: -505.753 where: short stacking energy: -260.358 Base-Backbone interact. energy: -1.749 local terms energy: -342.982434 where: bonds (distance) C4'-P energy: -65.276 bonds (distance) P-C4' energy: -73.819 flat angles C4'-P-C4' energy: -90.024 flat angles P-C4'-P energy: -54.128 tors. eta vs tors. theta energy: -59.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -552.281579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.281579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.281579 (E_RNA) where: Base-Base interactions energy: -265.271 where: short stacking energy: -160.467 Base-Backbone interact. energy: -1.454 local terms energy: -285.556341 where: bonds (distance) C4'-P energy: -79.224 bonds (distance) P-C4' energy: -80.925 flat angles C4'-P-C4' energy: -57.509 flat angles P-C4'-P energy: -54.362 tors. eta vs tors. theta energy: -13.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -549.085132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.085132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.085132 (E_RNA) where: Base-Base interactions energy: -289.393 where: short stacking energy: -166.579 Base-Backbone interact. energy: 2.353 local terms energy: -262.044773 where: bonds (distance) C4'-P energy: -67.895 bonds (distance) P-C4' energy: -77.918 flat angles C4'-P-C4' energy: -66.738 flat angles P-C4'-P energy: -34.611 tors. eta vs tors. theta energy: -14.883 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: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -375.197022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.197022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.197022 (E_RNA) where: Base-Base interactions energy: -146.596 where: short stacking energy: -118.533 Base-Backbone interact. energy: -2.419 local terms energy: -226.181491 where: bonds (distance) C4'-P energy: -63.551 bonds (distance) P-C4' energy: -77.280 flat angles C4'-P-C4' energy: -57.672 flat angles P-C4'-P energy: -26.698 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1570.370533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.370533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.370533 (E_RNA) where: Base-Base interactions energy: -1066.188 where: short stacking energy: -445.723 Base-Backbone interact. energy: -3.015 local terms energy: -501.168008 where: bonds (distance) C4'-P energy: -93.466 bonds (distance) P-C4' energy: -94.076 flat angles C4'-P-C4' energy: -101.235 flat angles P-C4'-P energy: -71.768 tors. eta vs tors. theta energy: -140.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1516.325468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.325468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.325468 (E_RNA) where: Base-Base interactions energy: -1017.868 where: short stacking energy: -438.074 Base-Backbone interact. energy: -1.812 local terms energy: -496.645660 where: bonds (distance) C4'-P energy: -99.545 bonds (distance) P-C4' energy: -89.258 flat angles C4'-P-C4' energy: -106.243 flat angles P-C4'-P energy: -67.701 tors. eta vs tors. theta energy: -133.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1483.065470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.065470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.065470 (E_RNA) where: Base-Base interactions energy: -1034.614 where: short stacking energy: -419.916 Base-Backbone interact. energy: 6.434 local terms energy: -454.885059 where: bonds (distance) C4'-P energy: -82.266 bonds (distance) P-C4' energy: -89.755 flat angles C4'-P-C4' energy: -98.249 flat angles P-C4'-P energy: -58.225 tors. eta vs tors. theta energy: -126.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1404.797104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.797104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.797104 (E_RNA) where: Base-Base interactions energy: -964.091 where: short stacking energy: -414.194 Base-Backbone interact. energy: -3.960 local terms energy: -436.745713 where: bonds (distance) C4'-P energy: -88.460 bonds (distance) P-C4' energy: -70.350 flat angles C4'-P-C4' energy: -95.362 flat angles P-C4'-P energy: -59.211 tors. eta vs tors. theta energy: -123.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1244.273674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.273674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.273674 (E_RNA) where: Base-Base interactions energy: -836.613 where: short stacking energy: -353.418 Base-Backbone interact. energy: 6.181 local terms energy: -413.841918 where: bonds (distance) C4'-P energy: -86.752 bonds (distance) P-C4' energy: -74.142 flat angles C4'-P-C4' energy: -97.433 flat angles P-C4'-P energy: -63.125 tors. eta vs tors. theta energy: -92.390 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: 6, replica: 1 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -939.155544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.155544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.155544 (E_RNA) where: Base-Base interactions energy: -577.112 where: short stacking energy: -273.100 Base-Backbone interact. energy: -0.205 local terms energy: -361.838484 where: bonds (distance) C4'-P energy: -77.037 bonds (distance) P-C4' energy: -84.759 flat angles C4'-P-C4' energy: -75.892 flat angles P-C4'-P energy: -59.209 tors. eta vs tors. theta energy: -64.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -856.806350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.806350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.806350 (E_RNA) where: Base-Base interactions energy: -534.291 where: short stacking energy: -258.065 Base-Backbone interact. energy: 0.057 local terms energy: -322.572098 where: bonds (distance) C4'-P energy: -77.960 bonds (distance) P-C4' energy: -84.331 flat angles C4'-P-C4' energy: -64.206 flat angles P-C4'-P energy: -47.837 tors. eta vs tors. theta energy: -48.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -561.633875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.633875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.633875 (E_RNA) where: Base-Base interactions energy: -270.299 where: short stacking energy: -164.667 Base-Backbone interact. energy: -0.336 local terms energy: -290.999097 where: bonds (distance) C4'-P energy: -71.021 bonds (distance) P-C4' energy: -79.668 flat angles C4'-P-C4' energy: -55.867 flat angles P-C4'-P energy: -64.243 tors. eta vs tors. theta energy: -20.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -540.707238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.707238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.707238 (E_RNA) where: Base-Base interactions energy: -281.047 where: short stacking energy: -140.270 Base-Backbone interact. energy: 1.662 local terms energy: -261.322505 where: bonds (distance) C4'-P energy: -65.256 bonds (distance) P-C4' energy: -82.807 flat angles C4'-P-C4' energy: -64.922 flat angles P-C4'-P energy: -41.042 tors. eta vs tors. theta energy: -7.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -350.148188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.148188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.148188 (E_RNA) where: Base-Base interactions energy: -114.818 where: short stacking energy: -98.966 Base-Backbone interact. energy: 3.023 local terms energy: -238.353166 where: bonds (distance) C4'-P energy: -74.292 bonds (distance) P-C4' energy: -80.868 flat angles C4'-P-C4' energy: -65.656 flat angles P-C4'-P energy: -26.468 tors. eta vs tors. theta energy: 8.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1589.414887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.414887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.414887 (E_RNA) where: Base-Base interactions energy: -1088.315 where: short stacking energy: -438.002 Base-Backbone interact. energy: -3.109 local terms energy: -497.990138 where: bonds (distance) C4'-P energy: -82.019 bonds (distance) P-C4' energy: -94.148 flat angles C4'-P-C4' energy: -105.226 flat angles P-C4'-P energy: -77.134 tors. eta vs tors. theta energy: -139.464 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: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1512.185459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.185459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.185459 (E_RNA) where: Base-Base interactions energy: -1035.627 where: short stacking energy: -456.662 Base-Backbone interact. energy: -0.738 local terms energy: -475.820714 where: bonds (distance) C4'-P energy: -87.586 bonds (distance) P-C4' energy: -89.961 flat angles C4'-P-C4' energy: -92.975 flat angles P-C4'-P energy: -72.431 tors. eta vs tors. theta energy: -132.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1513.678950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.678950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.678950 (E_RNA) where: Base-Base interactions energy: -1028.557 where: short stacking energy: -421.307 Base-Backbone interact. energy: -4.060 local terms energy: -481.061604 where: bonds (distance) C4'-P energy: -96.700 bonds (distance) P-C4' energy: -85.533 flat angles C4'-P-C4' energy: -103.663 flat angles P-C4'-P energy: -67.753 tors. eta vs tors. theta energy: -127.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1395.019061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.019061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.019061 (E_RNA) where: Base-Base interactions energy: -955.514 where: short stacking energy: -401.955 Base-Backbone interact. energy: -1.603 local terms energy: -437.901721 where: bonds (distance) C4'-P energy: -91.122 bonds (distance) P-C4' energy: -83.368 flat angles C4'-P-C4' energy: -101.423 flat angles P-C4'-P energy: -47.544 tors. eta vs tors. theta energy: -114.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1223.410227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.410227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.410227 (E_RNA) where: Base-Base interactions energy: -832.379 where: short stacking energy: -338.777 Base-Backbone interact. energy: -0.438 local terms energy: -390.592284 where: bonds (distance) C4'-P energy: -71.824 bonds (distance) P-C4' energy: -86.047 flat angles C4'-P-C4' energy: -93.353 flat angles P-C4'-P energy: -48.824 tors. eta vs tors. theta energy: -90.544 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: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -890.458107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.458107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.458107 (E_RNA) where: Base-Base interactions energy: -537.078 where: short stacking energy: -284.009 Base-Backbone interact. energy: -1.544 local terms energy: -351.835899 where: bonds (distance) C4'-P energy: -79.535 bonds (distance) P-C4' energy: -99.439 flat angles C4'-P-C4' energy: -84.356 flat angles P-C4'-P energy: -33.661 tors. eta vs tors. theta energy: -54.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -921.806002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.806002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.806002 (E_RNA) where: Base-Base interactions energy: -585.108 where: short stacking energy: -298.578 Base-Backbone interact. energy: 1.365 local terms energy: -338.063826 where: bonds (distance) C4'-P energy: -52.647 bonds (distance) P-C4' energy: -85.922 flat angles C4'-P-C4' energy: -77.360 flat angles P-C4'-P energy: -54.602 tors. eta vs tors. theta energy: -67.533 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: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -590.626315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.626315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.626315 (E_RNA) where: Base-Base interactions energy: -315.098 where: short stacking energy: -165.957 Base-Backbone interact. energy: 2.173 local terms energy: -277.701455 where: bonds (distance) C4'-P energy: -69.357 bonds (distance) P-C4' energy: -75.110 flat angles C4'-P-C4' energy: -84.271 flat angles P-C4'-P energy: -40.175 tors. eta vs tors. theta energy: -8.788 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: 7 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -542.791172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.791172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.791172 (E_RNA) where: Base-Base interactions energy: -282.080 where: short stacking energy: -157.873 Base-Backbone interact. energy: -2.429 local terms energy: -258.282103 where: bonds (distance) C4'-P energy: -76.056 bonds (distance) P-C4' energy: -78.241 flat angles C4'-P-C4' energy: -64.002 flat angles P-C4'-P energy: -35.445 tors. eta vs tors. theta energy: -4.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -363.670584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.670584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.670584 (E_RNA) where: Base-Base interactions energy: -144.082 where: short stacking energy: -124.151 Base-Backbone interact. energy: -2.869 local terms energy: -216.720472 where: bonds (distance) C4'-P energy: -81.883 bonds (distance) P-C4' energy: -70.975 flat angles C4'-P-C4' energy: -41.046 flat angles P-C4'-P energy: -38.396 tors. eta vs tors. theta energy: 15.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1557.606365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.606365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.606365 (E_RNA) where: Base-Base interactions energy: -1082.685 where: short stacking energy: -435.464 Base-Backbone interact. energy: -2.930 local terms energy: -471.991185 where: bonds (distance) C4'-P energy: -87.229 bonds (distance) P-C4' energy: -78.850 flat angles C4'-P-C4' energy: -103.237 flat angles P-C4'-P energy: -65.379 tors. eta vs tors. theta energy: -137.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1550.529105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.529105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.529105 (E_RNA) where: Base-Base interactions energy: -1080.553 where: short stacking energy: -452.468 Base-Backbone interact. energy: -2.835 local terms energy: -467.140532 where: bonds (distance) C4'-P energy: -80.896 bonds (distance) P-C4' energy: -88.630 flat angles C4'-P-C4' energy: -103.088 flat angles P-C4'-P energy: -58.253 tors. eta vs tors. theta energy: -136.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1456.499524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.499524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.499524 (E_RNA) where: Base-Base interactions energy: -1014.874 where: short stacking energy: -410.587 Base-Backbone interact. energy: -2.148 local terms energy: -439.477749 where: bonds (distance) C4'-P energy: -76.873 bonds (distance) P-C4' energy: -80.903 flat angles C4'-P-C4' energy: -100.722 flat angles P-C4'-P energy: -58.766 tors. eta vs tors. theta energy: -122.213 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: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1388.228783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.228783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.228783 (E_RNA) where: Base-Base interactions energy: -925.950 where: short stacking energy: -399.899 Base-Backbone interact. energy: -0.447 local terms energy: -461.831126 where: bonds (distance) C4'-P energy: -79.910 bonds (distance) P-C4' energy: -90.444 flat angles C4'-P-C4' energy: -101.957 flat angles P-C4'-P energy: -65.422 tors. eta vs tors. theta energy: -124.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1230.957609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.957609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.957609 (E_RNA) where: Base-Base interactions energy: -812.143 where: short stacking energy: -347.489 Base-Backbone interact. energy: -1.726 local terms energy: -417.088896 where: bonds (distance) C4'-P energy: -82.951 bonds (distance) P-C4' energy: -90.906 flat angles C4'-P-C4' energy: -87.157 flat angles P-C4'-P energy: -56.142 tors. eta vs tors. theta energy: -99.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -894.926708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.926708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.926708 (E_RNA) where: Base-Base interactions energy: -522.976 where: short stacking energy: -231.765 Base-Backbone interact. energy: -1.113 local terms energy: -370.837000 where: bonds (distance) C4'-P energy: -83.718 bonds (distance) P-C4' energy: -82.730 flat angles C4'-P-C4' energy: -97.986 flat angles P-C4'-P energy: -53.249 tors. eta vs tors. theta energy: -53.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -858.837801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.837801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.837801 (E_RNA) where: Base-Base interactions energy: -539.442 where: short stacking energy: -256.041 Base-Backbone interact. energy: -2.234 local terms energy: -317.161774 where: bonds (distance) C4'-P energy: -51.892 bonds (distance) P-C4' energy: -75.270 flat angles C4'-P-C4' energy: -78.035 flat angles P-C4'-P energy: -60.080 tors. eta vs tors. theta energy: -51.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -580.085288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.085288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.085288 (E_RNA) where: Base-Base interactions energy: -289.892 where: short stacking energy: -163.506 Base-Backbone interact. energy: 3.440 local terms energy: -293.633481 where: bonds (distance) C4'-P energy: -77.785 bonds (distance) P-C4' energy: -76.130 flat angles C4'-P-C4' energy: -83.015 flat angles P-C4'-P energy: -44.518 tors. eta vs tors. theta energy: -12.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -542.073204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.073204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.073204 (E_RNA) where: Base-Base interactions energy: -292.343 where: short stacking energy: -161.792 Base-Backbone interact. energy: 3.673 local terms energy: -253.403220 where: bonds (distance) C4'-P energy: -57.642 bonds (distance) P-C4' energy: -81.757 flat angles C4'-P-C4' energy: -71.109 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: 3.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -346.694038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.694038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.694038 (E_RNA) where: Base-Base interactions energy: -125.987 where: short stacking energy: -95.033 Base-Backbone interact. energy: -4.315 local terms energy: -216.392656 where: bonds (distance) C4'-P energy: -61.934 bonds (distance) P-C4' energy: -83.091 flat angles C4'-P-C4' energy: -64.198 flat angles P-C4'-P energy: -19.561 tors. eta vs tors. theta energy: 12.391 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: 1, replica: 4 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1556.799717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.799717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.799717 (E_RNA) where: Base-Base interactions energy: -1055.970 where: short stacking energy: -440.320 Base-Backbone interact. energy: 4.079 local terms energy: -504.908696 where: bonds (distance) C4'-P energy: -95.573 bonds (distance) P-C4' energy: -99.878 flat angles C4'-P-C4' energy: -98.509 flat angles P-C4'-P energy: -77.779 tors. eta vs tors. theta energy: -133.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1557.138112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.138112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.138112 (E_RNA) where: Base-Base interactions energy: -1075.236 where: short stacking energy: -448.209 Base-Backbone interact. energy: -1.658 local terms energy: -480.244022 where: bonds (distance) C4'-P energy: -87.764 bonds (distance) P-C4' energy: -85.147 flat angles C4'-P-C4' energy: -102.998 flat angles P-C4'-P energy: -71.930 tors. eta vs tors. theta energy: -132.406 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: 2 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1476.267718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.267718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.267718 (E_RNA) where: Base-Base interactions energy: -1004.189 where: short stacking energy: -411.361 Base-Backbone interact. energy: -1.299 local terms energy: -470.779591 where: bonds (distance) C4'-P energy: -87.522 bonds (distance) P-C4' energy: -93.759 flat angles C4'-P-C4' energy: -98.842 flat angles P-C4'-P energy: -69.626 tors. eta vs tors. theta energy: -121.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1392.024876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.024876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.024876 (E_RNA) where: Base-Base interactions energy: -937.030 where: short stacking energy: -406.202 Base-Backbone interact. energy: -1.069 local terms energy: -453.925765 where: bonds (distance) C4'-P energy: -87.902 bonds (distance) P-C4' energy: -77.891 flat angles C4'-P-C4' energy: -102.159 flat angles P-C4'-P energy: -66.547 tors. eta vs tors. theta energy: -119.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1242.446073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.446073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.446073 (E_RNA) where: Base-Base interactions energy: -830.719 where: short stacking energy: -356.518 Base-Backbone interact. energy: -3.166 local terms energy: -408.561337 where: bonds (distance) C4'-P energy: -89.813 bonds (distance) P-C4' energy: -70.816 flat angles C4'-P-C4' energy: -100.004 flat angles P-C4'-P energy: -52.647 tors. eta vs tors. theta energy: -95.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -917.436064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.436064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.436064 (E_RNA) where: Base-Base interactions energy: -544.447 where: short stacking energy: -280.329 Base-Backbone interact. energy: -0.703 local terms energy: -372.286423 where: bonds (distance) C4'-P energy: -78.292 bonds (distance) P-C4' energy: -84.749 flat angles C4'-P-C4' energy: -89.253 flat angles P-C4'-P energy: -54.241 tors. eta vs tors. theta energy: -65.752 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: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -849.146047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.146047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.146047 (E_RNA) where: Base-Base interactions energy: -518.759 where: short stacking energy: -246.339 Base-Backbone interact. energy: -2.188 local terms energy: -328.198876 where: bonds (distance) C4'-P energy: -80.279 bonds (distance) P-C4' energy: -78.353 flat angles C4'-P-C4' energy: -60.318 flat angles P-C4'-P energy: -53.920 tors. eta vs tors. theta energy: -55.328 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: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -554.016161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.016161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.016161 (E_RNA) where: Base-Base interactions energy: -300.986 where: short stacking energy: -163.517 Base-Backbone interact. energy: -2.258 local terms energy: -250.772529 where: bonds (distance) C4'-P energy: -60.803 bonds (distance) P-C4' energy: -77.626 flat angles C4'-P-C4' energy: -68.396 flat angles P-C4'-P energy: -41.598 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -537.960361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.960361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.960361 (E_RNA) where: Base-Base interactions energy: -278.822 where: short stacking energy: -156.029 Base-Backbone interact. energy: 8.961 local terms energy: -268.099736 where: bonds (distance) C4'-P energy: -85.448 bonds (distance) P-C4' energy: -70.065 flat angles C4'-P-C4' energy: -67.216 flat angles P-C4'-P energy: -47.111 tors. eta vs tors. theta energy: 1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -367.536184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.536184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.536184 (E_RNA) where: Base-Base interactions energy: -133.815 where: short stacking energy: -105.955 Base-Backbone interact. energy: 2.556 local terms energy: -236.277327 where: bonds (distance) C4'-P energy: -78.425 bonds (distance) P-C4' energy: -63.387 flat angles C4'-P-C4' energy: -52.959 flat angles P-C4'-P energy: -45.090 tors. eta vs tors. theta energy: 3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1542.261183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.261183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.261183 (E_RNA) where: Base-Base interactions energy: -1069.545 where: short stacking energy: -446.390 Base-Backbone interact. energy: -1.080 local terms energy: -471.636227 where: bonds (distance) C4'-P energy: -86.507 bonds (distance) P-C4' energy: -99.308 flat angles C4'-P-C4' energy: -91.592 flat angles P-C4'-P energy: -56.503 tors. eta vs tors. theta energy: -137.727 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: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1514.381920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.381920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.381920 (E_RNA) where: Base-Base interactions energy: -1029.388 where: short stacking energy: -425.608 Base-Backbone interact. energy: -3.740 local terms energy: -481.254543 where: bonds (distance) C4'-P energy: -89.033 bonds (distance) P-C4' energy: -91.726 flat angles C4'-P-C4' energy: -101.056 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -131.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1507.896256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.896256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.896256 (E_RNA) where: Base-Base interactions energy: -1033.863 where: short stacking energy: -420.076 Base-Backbone interact. energy: -0.170 local terms energy: -473.862920 where: bonds (distance) C4'-P energy: -82.640 bonds (distance) P-C4' energy: -100.688 flat angles C4'-P-C4' energy: -102.305 flat angles P-C4'-P energy: -68.123 tors. eta vs tors. theta energy: -120.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1388.597007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.597007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.597007 (E_RNA) where: Base-Base interactions energy: -922.817 where: short stacking energy: -399.527 Base-Backbone interact. energy: -3.100 local terms energy: -462.679913 where: bonds (distance) C4'-P energy: -80.632 bonds (distance) P-C4' energy: -85.462 flat angles C4'-P-C4' energy: -102.104 flat angles P-C4'-P energy: -70.931 tors. eta vs tors. theta energy: -123.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1209.720982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.720982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.720982 (E_RNA) where: Base-Base interactions energy: -806.074 where: short stacking energy: -350.778 Base-Backbone interact. energy: -1.388 local terms energy: -402.258783 where: bonds (distance) C4'-P energy: -87.874 bonds (distance) P-C4' energy: -76.274 flat angles C4'-P-C4' energy: -81.946 flat angles P-C4'-P energy: -60.756 tors. eta vs tors. theta energy: -95.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -913.796184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.796184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.796184 (E_RNA) where: Base-Base interactions energy: -577.817 where: short stacking energy: -286.189 Base-Backbone interact. energy: 0.317 local terms energy: -336.295746 where: bonds (distance) C4'-P energy: -71.887 bonds (distance) P-C4' energy: -75.871 flat angles C4'-P-C4' energy: -88.605 flat angles P-C4'-P energy: -52.248 tors. eta vs tors. theta energy: -47.685 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: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -886.313623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.313623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.313623 (E_RNA) where: Base-Base interactions energy: -526.935 where: short stacking energy: -246.201 Base-Backbone interact. energy: -1.179 local terms energy: -358.200280 where: bonds (distance) C4'-P energy: -78.594 bonds (distance) P-C4' energy: -82.600 flat angles C4'-P-C4' energy: -85.541 flat angles P-C4'-P energy: -57.629 tors. eta vs tors. theta energy: -53.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -577.412026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.412026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.412026 (E_RNA) where: Base-Base interactions energy: -289.849 where: short stacking energy: -167.450 Base-Backbone interact. energy: 1.354 local terms energy: -288.917641 where: bonds (distance) C4'-P energy: -61.551 bonds (distance) P-C4' energy: -91.380 flat angles C4'-P-C4' energy: -73.114 flat angles P-C4'-P energy: -39.120 tors. eta vs tors. theta energy: -23.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -545.985663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.985663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.985663 (E_RNA) where: Base-Base interactions energy: -262.501 where: short stacking energy: -127.673 Base-Backbone interact. energy: -0.669 local terms energy: -282.816066 where: bonds (distance) C4'-P energy: -76.933 bonds (distance) P-C4' energy: -86.258 flat angles C4'-P-C4' energy: -76.656 flat angles P-C4'-P energy: -44.309 tors. eta vs tors. theta energy: 1.340 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: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -354.752495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.752495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.752495 (E_RNA) where: Base-Base interactions energy: -152.763 where: short stacking energy: -107.122 Base-Backbone interact. energy: 0.447 local terms energy: -202.436166 where: bonds (distance) C4'-P energy: -63.438 bonds (distance) P-C4' energy: -76.666 flat angles C4'-P-C4' energy: -50.020 flat angles P-C4'-P energy: -27.409 tors. eta vs tors. theta energy: 15.097 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: 2 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1557.291428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.291428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.291428 (E_RNA) where: Base-Base interactions energy: -1080.598 where: short stacking energy: -467.604 Base-Backbone interact. energy: -1.037 local terms energy: -475.655805 where: bonds (distance) C4'-P energy: -96.929 bonds (distance) P-C4' energy: -86.839 flat angles C4'-P-C4' energy: -97.703 flat angles P-C4'-P energy: -56.784 tors. eta vs tors. theta energy: -137.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1506.014262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.014262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.014262 (E_RNA) where: Base-Base interactions energy: -1028.197 where: short stacking energy: -427.020 Base-Backbone interact. energy: -0.031 local terms energy: -477.786449 where: bonds (distance) C4'-P energy: -91.179 bonds (distance) P-C4' energy: -83.830 flat angles C4'-P-C4' energy: -102.127 flat angles P-C4'-P energy: -71.872 tors. eta vs tors. theta energy: -128.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1509.827321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.827321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.827321 (E_RNA) where: Base-Base interactions energy: -1036.358 where: short stacking energy: -422.827 Base-Backbone interact. energy: -2.111 local terms energy: -471.357947 where: bonds (distance) C4'-P energy: -95.412 bonds (distance) P-C4' energy: -75.355 flat angles C4'-P-C4' energy: -107.947 flat angles P-C4'-P energy: -59.157 tors. eta vs tors. theta energy: -133.486 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: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1393.471281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.471281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.471281 (E_RNA) where: Base-Base interactions energy: -981.914 where: short stacking energy: -386.276 Base-Backbone interact. energy: -1.976 local terms energy: -409.581289 where: bonds (distance) C4'-P energy: -71.453 bonds (distance) P-C4' energy: -88.641 flat angles C4'-P-C4' energy: -80.603 flat angles P-C4'-P energy: -54.151 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: 5, replica: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1192.998202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.998202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.998202 (E_RNA) where: Base-Base interactions energy: -769.256 where: short stacking energy: -334.180 Base-Backbone interact. energy: -0.925 local terms energy: -422.816780 where: bonds (distance) C4'-P energy: -85.440 bonds (distance) P-C4' energy: -99.271 flat angles C4'-P-C4' energy: -81.146 flat angles P-C4'-P energy: -63.973 tors. eta vs tors. theta energy: -92.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -914.865344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.865344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.865344 (E_RNA) where: Base-Base interactions energy: -551.794 where: short stacking energy: -264.828 Base-Backbone interact. energy: 1.095 local terms energy: -364.167205 where: bonds (distance) C4'-P energy: -82.876 bonds (distance) P-C4' energy: -87.657 flat angles C4'-P-C4' energy: -81.490 flat angles P-C4'-P energy: -53.794 tors. eta vs tors. theta energy: -58.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -809.404895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.404895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.404895 (E_RNA) where: Base-Base interactions energy: -474.588 where: short stacking energy: -239.715 Base-Backbone interact. energy: -3.216 local terms energy: -331.600744 where: bonds (distance) C4'-P energy: -71.567 bonds (distance) P-C4' energy: -84.889 flat angles C4'-P-C4' energy: -81.667 flat angles P-C4'-P energy: -51.131 tors. eta vs tors. theta energy: -42.347 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: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -606.555945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.555945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.555945 (E_RNA) where: Base-Base interactions energy: -301.572 where: short stacking energy: -161.306 Base-Backbone interact. energy: -0.576 local terms energy: -304.407647 where: bonds (distance) C4'-P energy: -87.904 bonds (distance) P-C4' energy: -79.860 flat angles C4'-P-C4' energy: -72.772 flat angles P-C4'-P energy: -59.125 tors. eta vs tors. theta energy: -4.747 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: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -567.327962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.327962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.327962 (E_RNA) where: Base-Base interactions energy: -294.568 where: short stacking energy: -161.886 Base-Backbone interact. energy: 3.895 local terms energy: -276.655298 where: bonds (distance) C4'-P energy: -77.386 bonds (distance) P-C4' energy: -79.463 flat angles C4'-P-C4' energy: -77.762 flat angles P-C4'-P energy: -45.898 tors. eta vs tors. theta energy: 3.854 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: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -379.773989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.773989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.773989 (E_RNA) where: Base-Base interactions energy: -130.463 where: short stacking energy: -94.307 Base-Backbone interact. energy: 1.001 local terms energy: -250.311647 where: bonds (distance) C4'-P energy: -71.121 bonds (distance) P-C4' energy: -78.807 flat angles C4'-P-C4' energy: -61.711 flat angles P-C4'-P energy: -39.961 tors. eta vs tors. theta energy: 1.289 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: 2 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1551.342593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.342593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.342593 (E_RNA) where: Base-Base interactions energy: -1070.423 where: short stacking energy: -445.556 Base-Backbone interact. energy: -1.930 local terms energy: -478.989461 where: bonds (distance) C4'-P energy: -87.902 bonds (distance) P-C4' energy: -89.054 flat angles C4'-P-C4' energy: -97.455 flat angles P-C4'-P energy: -67.965 tors. eta vs tors. theta energy: -136.613 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: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1513.447598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.447598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.447598 (E_RNA) where: Base-Base interactions energy: -1040.421 where: short stacking energy: -431.881 Base-Backbone interact. energy: -1.009 local terms energy: -472.017040 where: bonds (distance) C4'-P energy: -78.624 bonds (distance) P-C4' energy: -98.315 flat angles C4'-P-C4' energy: -92.942 flat angles P-C4'-P energy: -67.010 tors. eta vs tors. theta energy: -135.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1497.909809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.909809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.909809 (E_RNA) where: Base-Base interactions energy: -1031.817 where: short stacking energy: -425.054 Base-Backbone interact. energy: -1.806 local terms energy: -464.286639 where: bonds (distance) C4'-P energy: -96.747 bonds (distance) P-C4' energy: -78.813 flat angles C4'-P-C4' energy: -99.208 flat angles P-C4'-P energy: -53.962 tors. eta vs tors. theta energy: -135.557 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: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1399.211674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.211674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.211674 (E_RNA) where: Base-Base interactions energy: -936.809 where: short stacking energy: -389.625 Base-Backbone interact. energy: 0.098 local terms energy: -462.500984 where: bonds (distance) C4'-P energy: -92.198 bonds (distance) P-C4' energy: -87.977 flat angles C4'-P-C4' energy: -91.690 flat angles P-C4'-P energy: -71.740 tors. eta vs tors. theta energy: -118.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1199.771182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.771182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.771182 (E_RNA) where: Base-Base interactions energy: -803.557 where: short stacking energy: -378.145 Base-Backbone interact. energy: -5.595 local terms energy: -390.618643 where: bonds (distance) C4'-P energy: -82.281 bonds (distance) P-C4' energy: -80.146 flat angles C4'-P-C4' energy: -84.267 flat angles P-C4'-P energy: -45.756 tors. eta vs tors. theta energy: -98.170 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: 6, replica: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -889.144660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.144660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.144660 (E_RNA) where: Base-Base interactions energy: -555.170 where: short stacking energy: -255.402 Base-Backbone interact. energy: -2.220 local terms energy: -331.754705 where: bonds (distance) C4'-P energy: -81.370 bonds (distance) P-C4' energy: -75.356 flat angles C4'-P-C4' energy: -85.847 flat angles P-C4'-P energy: -42.378 tors. eta vs tors. theta energy: -46.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -795.003160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.003160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.003160 (E_RNA) where: Base-Base interactions energy: -450.989 where: short stacking energy: -234.267 Base-Backbone interact. energy: 0.404 local terms energy: -344.417837 where: bonds (distance) C4'-P energy: -76.004 bonds (distance) P-C4' energy: -96.140 flat angles C4'-P-C4' energy: -77.460 flat angles P-C4'-P energy: -50.902 tors. eta vs tors. theta energy: -43.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -600.797634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.797634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.797634 (E_RNA) where: Base-Base interactions energy: -314.395 where: short stacking energy: -165.776 Base-Backbone interact. energy: 0.091 local terms energy: -286.493747 where: bonds (distance) C4'-P energy: -75.846 bonds (distance) P-C4' energy: -66.083 flat angles C4'-P-C4' energy: -67.439 flat angles P-C4'-P energy: -58.874 tors. eta vs tors. theta energy: -18.251 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: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -537.434218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.434218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.434218 (E_RNA) where: Base-Base interactions energy: -276.846 where: short stacking energy: -156.041 Base-Backbone interact. energy: 0.923 local terms energy: -261.511431 where: bonds (distance) C4'-P energy: -60.285 bonds (distance) P-C4' energy: -81.304 flat angles C4'-P-C4' energy: -69.127 flat angles P-C4'-P energy: -35.366 tors. eta vs tors. theta energy: -15.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -363.409358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.409358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.409358 (E_RNA) where: Base-Base interactions energy: -130.584 where: short stacking energy: -115.079 Base-Backbone interact. energy: 2.917 local terms energy: -235.742484 where: bonds (distance) C4'-P energy: -68.388 bonds (distance) P-C4' energy: -75.553 flat angles C4'-P-C4' energy: -60.080 flat angles P-C4'-P energy: -44.030 tors. eta vs tors. theta energy: 12.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1557.042669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.042669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.042669 (E_RNA) where: Base-Base interactions energy: -1068.043 where: short stacking energy: -450.164 Base-Backbone interact. energy: 1.003 local terms energy: -490.002315 where: bonds (distance) C4'-P energy: -94.559 bonds (distance) P-C4' energy: -78.826 flat angles C4'-P-C4' energy: -104.495 flat angles P-C4'-P energy: -77.692 tors. eta vs tors. theta energy: -134.430 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: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1507.736499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.736499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.736499 (E_RNA) where: Base-Base interactions energy: -1023.731 where: short stacking energy: -430.914 Base-Backbone interact. energy: -0.494 local terms energy: -483.511102 where: bonds (distance) C4'-P energy: -86.976 bonds (distance) P-C4' energy: -90.534 flat angles C4'-P-C4' energy: -95.171 flat angles P-C4'-P energy: -74.822 tors. eta vs tors. theta energy: -136.008 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: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1459.695974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.695974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.695974 (E_RNA) where: Base-Base interactions energy: -983.062 where: short stacking energy: -426.477 Base-Backbone interact. energy: -1.993 local terms energy: -474.641400 where: bonds (distance) C4'-P energy: -90.088 bonds (distance) P-C4' energy: -79.257 flat angles C4'-P-C4' energy: -101.911 flat angles P-C4'-P energy: -72.844 tors. eta vs tors. theta energy: -130.542 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: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1403.892749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.892749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.892749 (E_RNA) where: Base-Base interactions energy: -942.714 where: short stacking energy: -405.647 Base-Backbone interact. energy: -1.832 local terms energy: -459.346277 where: bonds (distance) C4'-P energy: -93.061 bonds (distance) P-C4' energy: -97.621 flat angles C4'-P-C4' energy: -92.536 flat angles P-C4'-P energy: -54.873 tors. eta vs tors. theta energy: -121.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1200.723526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.723526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.723526 (E_RNA) where: Base-Base interactions energy: -801.398 where: short stacking energy: -350.949 Base-Backbone interact. energy: -3.340 local terms energy: -395.985612 where: bonds (distance) C4'-P energy: -65.610 bonds (distance) P-C4' energy: -81.966 flat angles C4'-P-C4' energy: -89.967 flat angles P-C4'-P energy: -50.407 tors. eta vs tors. theta energy: -108.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -874.641708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.641708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.641708 (E_RNA) where: Base-Base interactions energy: -534.376 where: short stacking energy: -260.396 Base-Backbone interact. energy: 0.857 local terms energy: -341.122324 where: bonds (distance) C4'-P energy: -72.121 bonds (distance) P-C4' energy: -84.035 flat angles C4'-P-C4' energy: -84.742 flat angles P-C4'-P energy: -54.448 tors. eta vs tors. theta energy: -45.777 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: 7, replica: 1 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -818.699394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.699394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.699394 (E_RNA) where: Base-Base interactions energy: -499.935 where: short stacking energy: -234.402 Base-Backbone interact. energy: -2.306 local terms energy: -316.458830 where: bonds (distance) C4'-P energy: -69.508 bonds (distance) P-C4' energy: -79.005 flat angles C4'-P-C4' energy: -85.660 flat angles P-C4'-P energy: -45.853 tors. eta vs tors. theta energy: -36.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -597.292090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.292090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.292090 (E_RNA) where: Base-Base interactions energy: -293.960 where: short stacking energy: -169.455 Base-Backbone interact. energy: -1.344 local terms energy: -301.988283 where: bonds (distance) C4'-P energy: -82.313 bonds (distance) P-C4' energy: -84.978 flat angles C4'-P-C4' energy: -77.788 flat angles P-C4'-P energy: -38.862 tors. eta vs tors. theta energy: -18.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -566.386254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.386254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.386254 (E_RNA) where: Base-Base interactions energy: -293.141 where: short stacking energy: -174.856 Base-Backbone interact. energy: 2.005 local terms energy: -275.249465 where: bonds (distance) C4'-P energy: -84.855 bonds (distance) P-C4' energy: -80.102 flat angles C4'-P-C4' energy: -64.087 flat angles P-C4'-P energy: -27.845 tors. eta vs tors. theta energy: -18.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -355.057645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.057645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.057645 (E_RNA) where: Base-Base interactions energy: -106.575 where: short stacking energy: -76.147 Base-Backbone interact. energy: -3.584 local terms energy: -244.898453 where: bonds (distance) C4'-P energy: -70.609 bonds (distance) P-C4' energy: -81.956 flat angles C4'-P-C4' energy: -55.254 flat angles P-C4'-P energy: -45.573 tors. eta vs tors. theta energy: 8.494 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: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1575.108785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.108785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.108785 (E_RNA) where: Base-Base interactions energy: -1088.090 where: short stacking energy: -464.486 Base-Backbone interact. energy: 0.812 local terms energy: -487.831055 where: bonds (distance) C4'-P energy: -89.390 bonds (distance) P-C4' energy: -86.794 flat angles C4'-P-C4' energy: -100.298 flat angles P-C4'-P energy: -69.444 tors. eta vs tors. theta energy: -141.905 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: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1519.343372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.343372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.343372 (E_RNA) where: Base-Base interactions energy: -1035.690 where: short stacking energy: -449.051 Base-Backbone interact. energy: -1.600 local terms energy: -482.053732 where: bonds (distance) C4'-P energy: -79.418 bonds (distance) P-C4' energy: -97.090 flat angles C4'-P-C4' energy: -101.027 flat angles P-C4'-P energy: -73.440 tors. eta vs tors. theta energy: -131.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1451.608252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.608252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.608252 (E_RNA) where: Base-Base interactions energy: -1005.332 where: short stacking energy: -433.709 Base-Backbone interact. energy: 5.494 local terms energy: -451.770243 where: bonds (distance) C4'-P energy: -77.551 bonds (distance) P-C4' energy: -85.110 flat angles C4'-P-C4' energy: -99.460 flat angles P-C4'-P energy: -62.471 tors. eta vs tors. theta energy: -127.178 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: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1394.968238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.968238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.968238 (E_RNA) where: Base-Base interactions energy: -951.668 where: short stacking energy: -382.952 Base-Backbone interact. energy: -1.350 local terms energy: -441.950087 where: bonds (distance) C4'-P energy: -84.944 bonds (distance) P-C4' energy: -68.922 flat angles C4'-P-C4' energy: -98.008 flat angles P-C4'-P energy: -68.138 tors. eta vs tors. theta energy: -121.939 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: 199 Temperature: 1.100000 Total energy: -1171.884200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.884200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.884200 (E_RNA) where: Base-Base interactions energy: -756.769 where: short stacking energy: -344.007 Base-Backbone interact. energy: 0.564 local terms energy: -415.679230 where: bonds (distance) C4'-P energy: -82.913 bonds (distance) P-C4' energy: -93.355 flat angles C4'-P-C4' energy: -83.376 flat angles P-C4'-P energy: -66.076 tors. eta vs tors. theta energy: -89.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -976.379999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.379999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.379999 (E_RNA) where: Base-Base interactions energy: -619.312 where: short stacking energy: -288.983 Base-Backbone interact. energy: 0.948 local terms energy: -358.016356 where: bonds (distance) C4'-P energy: -75.423 bonds (distance) P-C4' energy: -78.474 flat angles C4'-P-C4' energy: -84.447 flat angles P-C4'-P energy: -54.552 tors. eta vs tors. theta energy: -65.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -877.237435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.237435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.237435 (E_RNA) where: Base-Base interactions energy: -536.057 where: short stacking energy: -264.328 Base-Backbone interact. energy: -1.251 local terms energy: -339.929844 where: bonds (distance) C4'-P energy: -62.009 bonds (distance) P-C4' energy: -83.903 flat angles C4'-P-C4' energy: -87.350 flat angles P-C4'-P energy: -49.701 tors. eta vs tors. theta energy: -56.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -574.093209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.093209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.093209 (E_RNA) where: Base-Base interactions energy: -281.611 where: short stacking energy: -142.762 Base-Backbone interact. energy: -0.105 local terms energy: -292.376411 where: bonds (distance) C4'-P energy: -75.714 bonds (distance) P-C4' energy: -80.493 flat angles C4'-P-C4' energy: -78.834 flat angles P-C4'-P energy: -46.478 tors. eta vs tors. theta energy: -10.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -574.635843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.635843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.635843 (E_RNA) where: Base-Base interactions energy: -305.801 where: short stacking energy: -161.898 Base-Backbone interact. energy: -1.235 local terms energy: -267.599851 where: bonds (distance) C4'-P energy: -73.391 bonds (distance) P-C4' energy: -85.388 flat angles C4'-P-C4' energy: -66.177 flat angles P-C4'-P energy: -42.305 tors. eta vs tors. theta energy: -0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -370.377936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.377936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.377936 (E_RNA) where: Base-Base interactions energy: -129.289 where: short stacking energy: -96.159 Base-Backbone interact. energy: -0.634 local terms energy: -240.454208 where: bonds (distance) C4'-P energy: -70.092 bonds (distance) P-C4' energy: -80.598 flat angles C4'-P-C4' energy: -55.476 flat angles P-C4'-P energy: -43.255 tors. eta vs tors. theta energy: 8.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1545.786220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.786220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.786220 (E_RNA) where: Base-Base interactions energy: -1043.926 where: short stacking energy: -440.630 Base-Backbone interact. energy: -0.856 local terms energy: -501.004218 where: bonds (distance) C4'-P energy: -100.608 bonds (distance) P-C4' energy: -88.050 flat angles C4'-P-C4' energy: -97.782 flat angles P-C4'-P energy: -76.597 tors. eta vs tors. theta energy: -137.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1514.092342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.092342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.092342 (E_RNA) where: Base-Base interactions energy: -1023.521 where: short stacking energy: -414.755 Base-Backbone interact. energy: -1.661 local terms energy: -488.910200 where: bonds (distance) C4'-P energy: -85.619 bonds (distance) P-C4' energy: -90.153 flat angles C4'-P-C4' energy: -104.161 flat angles P-C4'-P energy: -79.715 tors. eta vs tors. theta energy: -129.262 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: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1498.444491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.444491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.444491 (E_RNA) where: Base-Base interactions energy: -1033.380 where: short stacking energy: -425.106 Base-Backbone interact. energy: -1.455 local terms energy: -463.609980 where: bonds (distance) C4'-P energy: -79.979 bonds (distance) P-C4' energy: -100.667 flat angles C4'-P-C4' energy: -96.266 flat angles P-C4'-P energy: -58.529 tors. eta vs tors. theta energy: -128.169 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: 4, replica: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1380.255967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.255967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.255967 (E_RNA) where: Base-Base interactions energy: -937.770 where: short stacking energy: -409.279 Base-Backbone interact. energy: -0.414 local terms energy: -442.072075 where: bonds (distance) C4'-P energy: -81.764 bonds (distance) P-C4' energy: -87.472 flat angles C4'-P-C4' energy: -90.790 flat angles P-C4'-P energy: -61.777 tors. eta vs tors. theta energy: -120.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1242.256339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.256339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.256339 (E_RNA) where: Base-Base interactions energy: -818.277 where: short stacking energy: -363.664 Base-Backbone interact. energy: -1.348 local terms energy: -422.630948 where: bonds (distance) C4'-P energy: -85.603 bonds (distance) P-C4' energy: -83.805 flat angles C4'-P-C4' energy: -94.063 flat angles P-C4'-P energy: -58.357 tors. eta vs tors. theta energy: -100.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -983.085463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.085463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.085463 (E_RNA) where: Base-Base interactions energy: -610.609 where: short stacking energy: -278.065 Base-Backbone interact. energy: -0.911 local terms energy: -371.564927 where: bonds (distance) C4'-P energy: -73.987 bonds (distance) P-C4' energy: -95.176 flat angles C4'-P-C4' energy: -87.549 flat angles P-C4'-P energy: -51.897 tors. eta vs tors. theta energy: -62.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -882.556977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.556977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.556977 (E_RNA) where: Base-Base interactions energy: -517.147 where: short stacking energy: -243.608 Base-Backbone interact. energy: 0.130 local terms energy: -365.540060 where: bonds (distance) C4'-P energy: -79.525 bonds (distance) P-C4' energy: -85.990 flat angles C4'-P-C4' energy: -86.341 flat angles P-C4'-P energy: -53.522 tors. eta vs tors. theta energy: -60.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -629.734583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.734583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.734583 (E_RNA) where: Base-Base interactions energy: -332.940 where: short stacking energy: -164.969 Base-Backbone interact. energy: 0.186 local terms energy: -296.980664 where: bonds (distance) C4'-P energy: -87.622 bonds (distance) P-C4' energy: -81.792 flat angles C4'-P-C4' energy: -73.184 flat angles P-C4'-P energy: -44.531 tors. eta vs tors. theta energy: -9.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -548.809923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.809923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.809923 (E_RNA) where: Base-Base interactions energy: -280.712 where: short stacking energy: -164.132 Base-Backbone interact. energy: 1.119 local terms energy: -269.216490 where: bonds (distance) C4'-P energy: -78.151 bonds (distance) P-C4' energy: -82.657 flat angles C4'-P-C4' energy: -60.398 flat angles P-C4'-P energy: -42.609 tors. eta vs tors. theta energy: -5.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -352.841441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.841441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.841441 (E_RNA) where: Base-Base interactions energy: -122.976 where: short stacking energy: -76.153 Base-Backbone interact. energy: 3.917 local terms energy: -233.782070 where: bonds (distance) C4'-P energy: -69.147 bonds (distance) P-C4' energy: -78.704 flat angles C4'-P-C4' energy: -58.517 flat angles P-C4'-P energy: -45.238 tors. eta vs tors. theta energy: 17.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1558.324696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.324696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.324696 (E_RNA) where: Base-Base interactions energy: -1092.687 where: short stacking energy: -458.992 Base-Backbone interact. energy: -0.115 local terms energy: -465.523035 where: bonds (distance) C4'-P energy: -78.353 bonds (distance) P-C4' energy: -84.017 flat angles C4'-P-C4' energy: -92.331 flat angles P-C4'-P energy: -67.114 tors. eta vs tors. theta energy: -143.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1515.952840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.952840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.952840 (E_RNA) where: Base-Base interactions energy: -1026.466 where: short stacking energy: -429.043 Base-Backbone interact. energy: -2.313 local terms energy: -487.173858 where: bonds (distance) C4'-P energy: -72.913 bonds (distance) P-C4' energy: -96.372 flat angles C4'-P-C4' energy: -112.855 flat angles P-C4'-P energy: -81.799 tors. eta vs tors. theta energy: -123.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1491.201854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.201854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.201854 (E_RNA) where: Base-Base interactions energy: -1004.314 where: short stacking energy: -432.179 Base-Backbone interact. energy: -2.617 local terms energy: -484.271060 where: bonds (distance) C4'-P energy: -94.910 bonds (distance) P-C4' energy: -85.297 flat angles C4'-P-C4' energy: -100.570 flat angles P-C4'-P energy: -65.271 tors. eta vs tors. theta energy: -138.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1397.409649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.409649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.409649 (E_RNA) where: Base-Base interactions energy: -934.341 where: short stacking energy: -394.697 Base-Backbone interact. energy: -2.084 local terms energy: -460.984523 where: bonds (distance) C4'-P energy: -93.551 bonds (distance) P-C4' energy: -86.110 flat angles C4'-P-C4' energy: -105.191 flat angles P-C4'-P energy: -63.561 tors. eta vs tors. theta energy: -112.572 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: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1264.131808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.131808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.131808 (E_RNA) where: Base-Base interactions energy: -849.358 where: short stacking energy: -376.028 Base-Backbone interact. energy: 1.955 local terms energy: -416.728312 where: bonds (distance) C4'-P energy: -76.923 bonds (distance) P-C4' energy: -84.146 flat angles C4'-P-C4' energy: -76.785 flat angles P-C4'-P energy: -63.989 tors. eta vs tors. theta energy: -114.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -892.931030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.931030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.931030 (E_RNA) where: Base-Base interactions energy: -544.536 where: short stacking energy: -280.500 Base-Backbone interact. energy: -0.695 local terms energy: -347.699834 where: bonds (distance) C4'-P energy: -64.700 bonds (distance) P-C4' energy: -74.342 flat angles C4'-P-C4' energy: -89.602 flat angles P-C4'-P energy: -57.745 tors. eta vs tors. theta energy: -61.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -820.934141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.934141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.934141 (E_RNA) where: Base-Base interactions energy: -490.824 where: short stacking energy: -228.250 Base-Backbone interact. energy: -0.525 local terms energy: -329.584894 where: bonds (distance) C4'-P energy: -78.555 bonds (distance) P-C4' energy: -69.575 flat angles C4'-P-C4' energy: -88.347 flat angles P-C4'-P energy: -56.389 tors. eta vs tors. theta energy: -36.718 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: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -586.396757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.396757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.396757 (E_RNA) where: Base-Base interactions energy: -309.230 where: short stacking energy: -162.353 Base-Backbone interact. energy: -1.704 local terms energy: -275.462600 where: bonds (distance) C4'-P energy: -82.899 bonds (distance) P-C4' energy: -75.234 flat angles C4'-P-C4' energy: -69.527 flat angles P-C4'-P energy: -34.303 tors. eta vs tors. theta energy: -13.500 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: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -541.691907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.691907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.691907 (E_RNA) where: Base-Base interactions energy: -258.131 where: short stacking energy: -149.925 Base-Backbone interact. energy: 2.850 local terms energy: -286.410980 where: bonds (distance) C4'-P energy: -84.027 bonds (distance) P-C4' energy: -88.938 flat angles C4'-P-C4' energy: -61.035 flat angles P-C4'-P energy: -50.759 tors. eta vs tors. theta energy: -1.653 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: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -370.326178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.326178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.326178 (E_RNA) where: Base-Base interactions energy: -125.175 where: short stacking energy: -89.653 Base-Backbone interact. energy: 1.786 local terms energy: -246.936641 where: bonds (distance) C4'-P energy: -84.717 bonds (distance) P-C4' energy: -63.313 flat angles C4'-P-C4' energy: -65.665 flat angles P-C4'-P energy: -41.165 tors. eta vs tors. theta energy: 7.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1567.474948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.474948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.474948 (E_RNA) where: Base-Base interactions energy: -1079.211 where: short stacking energy: -429.561 Base-Backbone interact. energy: -4.402 local terms energy: -483.861916 where: bonds (distance) C4'-P energy: -96.219 bonds (distance) P-C4' energy: -90.772 flat angles C4'-P-C4' energy: -101.702 flat angles P-C4'-P energy: -70.870 tors. eta vs tors. theta energy: -124.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1518.572262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.572262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.572262 (E_RNA) where: Base-Base interactions energy: -1028.309 where: short stacking energy: -439.981 Base-Backbone interact. energy: -2.487 local terms energy: -487.776258 where: bonds (distance) C4'-P energy: -101.137 bonds (distance) P-C4' energy: -96.076 flat angles C4'-P-C4' energy: -102.467 flat angles P-C4'-P energy: -68.592 tors. eta vs tors. theta energy: -119.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1476.715165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.715165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.715165 (E_RNA) where: Base-Base interactions energy: -1021.301 where: short stacking energy: -424.112 Base-Backbone interact. energy: -0.244 local terms energy: -455.170160 where: bonds (distance) C4'-P energy: -93.836 bonds (distance) P-C4' energy: -76.287 flat angles C4'-P-C4' energy: -95.106 flat angles P-C4'-P energy: -66.216 tors. eta vs tors. theta energy: -123.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1385.006959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.006959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.006959 (E_RNA) where: Base-Base interactions energy: -928.104 where: short stacking energy: -394.942 Base-Backbone interact. energy: 0.084 local terms energy: -456.987472 where: bonds (distance) C4'-P energy: -79.931 bonds (distance) P-C4' energy: -95.514 flat angles C4'-P-C4' energy: -103.016 flat angles P-C4'-P energy: -62.553 tors. eta vs tors. theta energy: -115.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1244.901556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.901556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.901556 (E_RNA) where: Base-Base interactions energy: -808.421 where: short stacking energy: -354.858 Base-Backbone interact. energy: 4.038 local terms energy: -440.518906 where: bonds (distance) C4'-P energy: -83.548 bonds (distance) P-C4' energy: -89.197 flat angles C4'-P-C4' energy: -98.293 flat angles P-C4'-P energy: -67.307 tors. eta vs tors. theta energy: -102.174 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: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -926.741504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.741504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.741504 (E_RNA) where: Base-Base interactions energy: -553.161 where: short stacking energy: -268.274 Base-Backbone interact. energy: -1.577 local terms energy: -372.003953 where: bonds (distance) C4'-P energy: -85.129 bonds (distance) P-C4' energy: -93.374 flat angles C4'-P-C4' energy: -84.480 flat angles P-C4'-P energy: -51.901 tors. eta vs tors. theta energy: -57.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -824.002842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.002842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.002842 (E_RNA) where: Base-Base interactions energy: -492.792 where: short stacking energy: -212.223 Base-Backbone interact. energy: -0.906 local terms energy: -330.305147 where: bonds (distance) C4'-P energy: -78.398 bonds (distance) P-C4' energy: -77.713 flat angles C4'-P-C4' energy: -71.476 flat angles P-C4'-P energy: -57.180 tors. eta vs tors. theta energy: -45.538 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: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -566.309886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.309886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.309886 (E_RNA) where: Base-Base interactions energy: -280.884 where: short stacking energy: -163.071 Base-Backbone interact. energy: -2.654 local terms energy: -282.771561 where: bonds (distance) C4'-P energy: -66.943 bonds (distance) P-C4' energy: -88.710 flat angles C4'-P-C4' energy: -71.749 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -6.272 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: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -571.167206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.167206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.167206 (E_RNA) where: Base-Base interactions energy: -301.813 where: short stacking energy: -163.488 Base-Backbone interact. energy: -2.330 local terms energy: -267.023723 where: bonds (distance) C4'-P energy: -68.804 bonds (distance) P-C4' energy: -94.468 flat angles C4'-P-C4' energy: -59.066 flat angles P-C4'-P energy: -34.718 tors. eta vs tors. theta energy: -9.969 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: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -384.647846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.647846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.647846 (E_RNA) where: Base-Base interactions energy: -165.796 where: short stacking energy: -134.154 Base-Backbone interact. energy: 2.345 local terms energy: -221.196701 where: bonds (distance) C4'-P energy: -79.656 bonds (distance) P-C4' energy: -85.630 flat angles C4'-P-C4' energy: -29.115 flat angles P-C4'-P energy: -20.406 tors. eta vs tors. theta energy: -6.389 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: 4 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1556.951603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.951603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.951603 (E_RNA) where: Base-Base interactions energy: -1066.779 where: short stacking energy: -437.423 Base-Backbone interact. energy: 1.329 local terms energy: -491.501571 where: bonds (distance) C4'-P energy: -100.127 bonds (distance) P-C4' energy: -93.092 flat angles C4'-P-C4' energy: -98.129 flat angles P-C4'-P energy: -70.516 tors. eta vs tors. theta energy: -129.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1513.826935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.826935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.826935 (E_RNA) where: Base-Base interactions energy: -1056.925 where: short stacking energy: -427.495 Base-Backbone interact. energy: -3.336 local terms energy: -453.565724 where: bonds (distance) C4'-P energy: -85.712 bonds (distance) P-C4' energy: -87.393 flat angles C4'-P-C4' energy: -100.380 flat angles P-C4'-P energy: -53.873 tors. eta vs tors. theta energy: -126.208 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: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1491.452540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.452540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.452540 (E_RNA) where: Base-Base interactions energy: -1021.229 where: short stacking energy: -390.744 Base-Backbone interact. energy: 0.547 local terms energy: -470.770135 where: bonds (distance) C4'-P energy: -81.456 bonds (distance) P-C4' energy: -88.997 flat angles C4'-P-C4' energy: -104.061 flat angles P-C4'-P energy: -72.678 tors. eta vs tors. theta energy: -123.578 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: 203 Temperature: 1.050000 Total energy: -1399.874438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.874438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.874438 (E_RNA) where: Base-Base interactions energy: -940.864 where: short stacking energy: -397.864 Base-Backbone interact. energy: -2.363 local terms energy: -456.648023 where: bonds (distance) C4'-P energy: -77.853 bonds (distance) P-C4' energy: -91.905 flat angles C4'-P-C4' energy: -102.745 flat angles P-C4'-P energy: -62.145 tors. eta vs tors. theta energy: -121.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1213.022074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.022074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.022074 (E_RNA) where: Base-Base interactions energy: -807.253 where: short stacking energy: -327.374 Base-Backbone interact. energy: 0.807 local terms energy: -406.576353 where: bonds (distance) C4'-P energy: -83.653 bonds (distance) P-C4' energy: -82.778 flat angles C4'-P-C4' energy: -95.465 flat angles P-C4'-P energy: -58.529 tors. eta vs tors. theta energy: -86.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -957.767652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.767652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.767652 (E_RNA) where: Base-Base interactions energy: -596.665 where: short stacking energy: -276.861 Base-Backbone interact. energy: 2.911 local terms energy: -364.013629 where: bonds (distance) C4'-P energy: -66.211 bonds (distance) P-C4' energy: -83.269 flat angles C4'-P-C4' energy: -86.363 flat angles P-C4'-P energy: -61.940 tors. eta vs tors. theta energy: -66.230 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: 1 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -881.462899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.462899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.462899 (E_RNA) where: Base-Base interactions energy: -541.717 where: short stacking energy: -246.613 Base-Backbone interact. energy: -2.381 local terms energy: -337.364679 where: bonds (distance) C4'-P energy: -78.476 bonds (distance) P-C4' energy: -81.283 flat angles C4'-P-C4' energy: -72.961 flat angles P-C4'-P energy: -56.051 tors. eta vs tors. theta energy: -48.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -597.648893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.648893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.648893 (E_RNA) where: Base-Base interactions energy: -287.580 where: short stacking energy: -168.423 Base-Backbone interact. energy: -0.382 local terms energy: -309.686310 where: bonds (distance) C4'-P energy: -77.576 bonds (distance) P-C4' energy: -88.577 flat angles C4'-P-C4' energy: -76.518 flat angles P-C4'-P energy: -39.275 tors. eta vs tors. theta energy: -27.741 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: 9, replica: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -535.617055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.617055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.617055 (E_RNA) where: Base-Base interactions energy: -256.298 where: short stacking energy: -136.216 Base-Backbone interact. energy: 1.252 local terms energy: -280.570422 where: bonds (distance) C4'-P energy: -74.634 bonds (distance) P-C4' energy: -83.435 flat angles C4'-P-C4' energy: -63.132 flat angles P-C4'-P energy: -53.415 tors. eta vs tors. theta energy: -5.954 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: 203 Temperature: 1.350000 Total energy: -344.061215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.061215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.061215 (E_RNA) where: Base-Base interactions energy: -115.854 where: short stacking energy: -100.982 Base-Backbone interact. energy: -1.148 local terms energy: -227.059876 where: bonds (distance) C4'-P energy: -78.635 bonds (distance) P-C4' energy: -82.084 flat angles C4'-P-C4' energy: -52.600 flat angles P-C4'-P energy: -31.263 tors. eta vs tors. theta energy: 17.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1562.074160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.074160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.074160 (E_RNA) where: Base-Base interactions energy: -1091.424 where: short stacking energy: -439.236 Base-Backbone interact. energy: -3.007 local terms energy: -467.642467 where: bonds (distance) C4'-P energy: -80.044 bonds (distance) P-C4' energy: -89.211 flat angles C4'-P-C4' energy: -104.488 flat angles P-C4'-P energy: -67.703 tors. eta vs tors. theta energy: -126.196 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: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1502.484779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.484779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.484779 (E_RNA) where: Base-Base interactions energy: -1026.809 where: short stacking energy: -429.308 Base-Backbone interact. energy: -2.598 local terms energy: -473.078334 where: bonds (distance) C4'-P energy: -88.817 bonds (distance) P-C4' energy: -99.397 flat angles C4'-P-C4' energy: -94.882 flat angles P-C4'-P energy: -68.115 tors. eta vs tors. theta energy: -121.867 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: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1502.066628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.066628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.066628 (E_RNA) where: Base-Base interactions energy: -1038.394 where: short stacking energy: -426.293 Base-Backbone interact. energy: -1.606 local terms energy: -462.067328 where: bonds (distance) C4'-P energy: -87.239 bonds (distance) P-C4' energy: -84.273 flat angles C4'-P-C4' energy: -101.102 flat angles P-C4'-P energy: -60.536 tors. eta vs tors. theta energy: -128.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1393.827635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.827635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.827635 (E_RNA) where: Base-Base interactions energy: -946.130 where: short stacking energy: -396.755 Base-Backbone interact. energy: -0.904 local terms energy: -446.792872 where: bonds (distance) C4'-P energy: -70.837 bonds (distance) P-C4' energy: -92.356 flat angles C4'-P-C4' energy: -89.986 flat angles P-C4'-P energy: -68.228 tors. eta vs tors. theta energy: -125.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1230.978742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.978742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.978742 (E_RNA) where: Base-Base interactions energy: -810.503 where: short stacking energy: -351.952 Base-Backbone interact. energy: -0.408 local terms energy: -420.068654 where: bonds (distance) C4'-P energy: -83.511 bonds (distance) P-C4' energy: -75.506 flat angles C4'-P-C4' energy: -100.275 flat angles P-C4'-P energy: -64.186 tors. eta vs tors. theta energy: -96.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -928.883441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.883441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.883441 (E_RNA) where: Base-Base interactions energy: -568.832 where: short stacking energy: -268.602 Base-Backbone interact. energy: -0.508 local terms energy: -359.542933 where: bonds (distance) C4'-P energy: -86.830 bonds (distance) P-C4' energy: -85.372 flat angles C4'-P-C4' energy: -85.319 flat angles P-C4'-P energy: -49.812 tors. eta vs tors. theta energy: -52.210 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: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -913.578226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.578226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.578226 (E_RNA) where: Base-Base interactions energy: -587.504 where: short stacking energy: -272.988 Base-Backbone interact. energy: -2.104 local terms energy: -323.969816 where: bonds (distance) C4'-P energy: -69.063 bonds (distance) P-C4' energy: -76.503 flat angles C4'-P-C4' energy: -71.199 flat angles P-C4'-P energy: -44.818 tors. eta vs tors. theta energy: -62.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -652.027678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.027678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.027678 (E_RNA) where: Base-Base interactions energy: -328.901 where: short stacking energy: -174.100 Base-Backbone interact. energy: -1.327 local terms energy: -321.799989 where: bonds (distance) C4'-P energy: -80.861 bonds (distance) P-C4' energy: -79.481 flat angles C4'-P-C4' energy: -93.630 flat angles P-C4'-P energy: -50.212 tors. eta vs tors. theta energy: -17.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -537.913225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.913225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.913225 (E_RNA) where: Base-Base interactions energy: -240.041 where: short stacking energy: -143.954 Base-Backbone interact. energy: -1.489 local terms energy: -296.383651 where: bonds (distance) C4'-P energy: -76.999 bonds (distance) P-C4' energy: -91.356 flat angles C4'-P-C4' energy: -65.098 flat angles P-C4'-P energy: -56.899 tors. eta vs tors. theta energy: -6.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -353.158905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.158905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.158905 (E_RNA) where: Base-Base interactions energy: -107.203 where: short stacking energy: -73.177 Base-Backbone interact. energy: -1.087 local terms energy: -244.868381 where: bonds (distance) C4'-P energy: -85.466 bonds (distance) P-C4' energy: -81.454 flat angles C4'-P-C4' energy: -59.569 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: 20.978 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: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1580.055133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.055133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.055133 (E_RNA) where: Base-Base interactions energy: -1069.786 where: short stacking energy: -461.431 Base-Backbone interact. energy: -2.926 local terms energy: -507.342969 where: bonds (distance) C4'-P energy: -96.944 bonds (distance) P-C4' energy: -92.850 flat angles C4'-P-C4' energy: -109.663 flat angles P-C4'-P energy: -67.430 tors. eta vs tors. theta energy: -140.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1526.073456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.073456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.073456 (E_RNA) where: Base-Base interactions energy: -1067.545 where: short stacking energy: -430.152 Base-Backbone interact. energy: -2.443 local terms energy: -456.086112 where: bonds (distance) C4'-P energy: -78.764 bonds (distance) P-C4' energy: -102.471 flat angles C4'-P-C4' energy: -98.505 flat angles P-C4'-P energy: -53.519 tors. eta vs tors. theta energy: -122.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1475.006789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.006789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.006789 (E_RNA) where: Base-Base interactions energy: -1011.383 where: short stacking energy: -417.484 Base-Backbone interact. energy: -2.073 local terms energy: -461.551089 where: bonds (distance) C4'-P energy: -82.510 bonds (distance) P-C4' energy: -87.316 flat angles C4'-P-C4' energy: -102.755 flat angles P-C4'-P energy: -61.142 tors. eta vs tors. theta energy: -127.829 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: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1393.434763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.434763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.434763 (E_RNA) where: Base-Base interactions energy: -934.959 where: short stacking energy: -404.100 Base-Backbone interact. energy: -0.993 local terms energy: -457.483378 where: bonds (distance) C4'-P energy: -96.901 bonds (distance) P-C4' energy: -83.277 flat angles C4'-P-C4' energy: -91.187 flat angles P-C4'-P energy: -61.378 tors. eta vs tors. theta energy: -124.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1239.982998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.982998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.982998 (E_RNA) where: Base-Base interactions energy: -798.058 where: short stacking energy: -367.600 Base-Backbone interact. energy: 0.371 local terms energy: -442.295218 where: bonds (distance) C4'-P energy: -89.264 bonds (distance) P-C4' energy: -89.631 flat angles C4'-P-C4' energy: -98.539 flat angles P-C4'-P energy: -65.703 tors. eta vs tors. theta energy: -99.159 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: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -913.953731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.953731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.953731 (E_RNA) where: Base-Base interactions energy: -556.554 where: short stacking energy: -246.390 Base-Backbone interact. energy: -2.240 local terms energy: -355.159573 where: bonds (distance) C4'-P energy: -88.857 bonds (distance) P-C4' energy: -80.080 flat angles C4'-P-C4' energy: -84.717 flat angles P-C4'-P energy: -59.519 tors. eta vs tors. theta energy: -41.987 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: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -895.054333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.054333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.054333 (E_RNA) where: Base-Base interactions energy: -521.859 where: short stacking energy: -266.623 Base-Backbone interact. energy: -1.547 local terms energy: -371.648176 where: bonds (distance) C4'-P energy: -77.956 bonds (distance) P-C4' energy: -96.051 flat angles C4'-P-C4' energy: -87.645 flat angles P-C4'-P energy: -53.352 tors. eta vs tors. theta energy: -56.644 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: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -645.488733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.488733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.488733 (E_RNA) where: Base-Base interactions energy: -341.036 where: short stacking energy: -186.412 Base-Backbone interact. energy: 4.215 local terms energy: -308.668327 where: bonds (distance) C4'-P energy: -70.763 bonds (distance) P-C4' energy: -89.139 flat angles C4'-P-C4' energy: -77.927 flat angles P-C4'-P energy: -40.347 tors. eta vs tors. theta energy: -30.491 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: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -605.961161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.961161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.961161 (E_RNA) where: Base-Base interactions energy: -322.221 where: short stacking energy: -140.678 Base-Backbone interact. energy: -2.207 local terms energy: -281.532409 where: bonds (distance) C4'-P energy: -70.647 bonds (distance) P-C4' energy: -91.342 flat angles C4'-P-C4' energy: -73.814 flat angles P-C4'-P energy: -35.402 tors. eta vs tors. theta energy: -10.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -370.016933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.016933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.016933 (E_RNA) where: Base-Base interactions energy: -134.904 where: short stacking energy: -99.711 Base-Backbone interact. energy: -2.331 local terms energy: -232.781215 where: bonds (distance) C4'-P energy: -73.049 bonds (distance) P-C4' energy: -70.388 flat angles C4'-P-C4' energy: -62.612 flat angles P-C4'-P energy: -36.449 tors. eta vs tors. theta energy: 9.717 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: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1581.625703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.625703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.625703 (E_RNA) where: Base-Base interactions energy: -1089.035 where: short stacking energy: -468.932 Base-Backbone interact. energy: 2.395 local terms energy: -494.985494 where: bonds (distance) C4'-P energy: -96.215 bonds (distance) P-C4' energy: -87.139 flat angles C4'-P-C4' energy: -103.678 flat angles P-C4'-P energy: -65.777 tors. eta vs tors. theta energy: -142.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1523.166216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.166216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.166216 (E_RNA) where: Base-Base interactions energy: -1055.777 where: short stacking energy: -427.387 Base-Backbone interact. energy: -0.040 local terms energy: -467.349733 where: bonds (distance) C4'-P energy: -86.459 bonds (distance) P-C4' energy: -80.358 flat angles C4'-P-C4' energy: -102.480 flat angles P-C4'-P energy: -66.521 tors. eta vs tors. theta energy: -131.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1474.341588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.341588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.341588 (E_RNA) where: Base-Base interactions energy: -1025.789 where: short stacking energy: -434.574 Base-Backbone interact. energy: -2.663 local terms energy: -445.889420 where: bonds (distance) C4'-P energy: -74.948 bonds (distance) P-C4' energy: -97.120 flat angles C4'-P-C4' energy: -98.507 flat angles P-C4'-P energy: -55.379 tors. eta vs tors. theta energy: -119.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1380.821209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.821209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.821209 (E_RNA) where: Base-Base interactions energy: -939.250 where: short stacking energy: -395.813 Base-Backbone interact. energy: -2.855 local terms energy: -438.716288 where: bonds (distance) C4'-P energy: -79.398 bonds (distance) P-C4' energy: -80.624 flat angles C4'-P-C4' energy: -94.416 flat angles P-C4'-P energy: -67.874 tors. eta vs tors. theta energy: -116.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1216.970199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.970199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.970199 (E_RNA) where: Base-Base interactions energy: -810.228 where: short stacking energy: -347.093 Base-Backbone interact. energy: -3.212 local terms energy: -403.530594 where: bonds (distance) C4'-P energy: -78.825 bonds (distance) P-C4' energy: -86.607 flat angles C4'-P-C4' energy: -96.759 flat angles P-C4'-P energy: -55.873 tors. eta vs tors. theta energy: -85.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -922.826562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.826562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.826562 (E_RNA) where: Base-Base interactions energy: -552.796 where: short stacking energy: -275.101 Base-Backbone interact. energy: -0.552 local terms energy: -369.478339 where: bonds (distance) C4'-P energy: -90.161 bonds (distance) P-C4' energy: -72.301 flat angles C4'-P-C4' energy: -84.770 flat angles P-C4'-P energy: -53.218 tors. eta vs tors. theta energy: -69.029 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: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -879.884351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.884351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.884351 (E_RNA) where: Base-Base interactions energy: -548.406 where: short stacking energy: -252.010 Base-Backbone interact. energy: -2.651 local terms energy: -328.827209 where: bonds (distance) C4'-P energy: -63.305 bonds (distance) P-C4' energy: -64.088 flat angles C4'-P-C4' energy: -85.175 flat angles P-C4'-P energy: -57.112 tors. eta vs tors. theta energy: -59.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -626.242286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.242286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.242286 (E_RNA) where: Base-Base interactions energy: -327.109 where: short stacking energy: -186.744 Base-Backbone interact. energy: -2.285 local terms energy: -296.848683 where: bonds (distance) C4'-P energy: -70.632 bonds (distance) P-C4' energy: -76.198 flat angles C4'-P-C4' energy: -80.040 flat angles P-C4'-P energy: -46.560 tors. eta vs tors. theta energy: -23.418 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: 7 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -627.783396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.783396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.783396 (E_RNA) where: Base-Base interactions energy: -337.272 where: short stacking energy: -171.616 Base-Backbone interact. energy: -0.903 local terms energy: -289.608573 where: bonds (distance) C4'-P energy: -74.979 bonds (distance) P-C4' energy: -84.090 flat angles C4'-P-C4' energy: -66.383 flat angles P-C4'-P energy: -38.535 tors. eta vs tors. theta energy: -25.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -359.060576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.060576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.060576 (E_RNA) where: Base-Base interactions energy: -128.123 where: short stacking energy: -97.664 Base-Backbone interact. energy: -0.695 local terms energy: -230.242436 where: bonds (distance) C4'-P energy: -73.819 bonds (distance) P-C4' energy: -79.743 flat angles C4'-P-C4' energy: -64.676 flat angles P-C4'-P energy: -32.248 tors. eta vs tors. theta energy: 20.243 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: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1550.937577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.937577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.937577 (E_RNA) where: Base-Base interactions energy: -1049.964 where: short stacking energy: -440.428 Base-Backbone interact. energy: -0.425 local terms energy: -500.548545 where: bonds (distance) C4'-P energy: -96.779 bonds (distance) P-C4' energy: -97.074 flat angles C4'-P-C4' energy: -114.225 flat angles P-C4'-P energy: -64.792 tors. eta vs tors. theta energy: -127.679 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: 207 Temperature: 0.950000 Total energy: -1530.044971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.044971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.044971 (E_RNA) where: Base-Base interactions energy: -1056.037 where: short stacking energy: -429.777 Base-Backbone interact. energy: 3.086 local terms energy: -477.094123 where: bonds (distance) C4'-P energy: -86.434 bonds (distance) P-C4' energy: -85.194 flat angles C4'-P-C4' energy: -98.616 flat angles P-C4'-P energy: -70.253 tors. eta vs tors. theta energy: -136.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1486.747972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.747972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.747972 (E_RNA) where: Base-Base interactions energy: -1016.486 where: short stacking energy: -416.434 Base-Backbone interact. energy: -0.755 local terms energy: -469.506605 where: bonds (distance) C4'-P energy: -93.752 bonds (distance) P-C4' energy: -86.711 flat angles C4'-P-C4' energy: -100.085 flat angles P-C4'-P energy: -68.712 tors. eta vs tors. theta energy: -120.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1389.288170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.288170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.288170 (E_RNA) where: Base-Base interactions energy: -953.818 where: short stacking energy: -400.898 Base-Backbone interact. energy: -1.186 local terms energy: -434.283655 where: bonds (distance) C4'-P energy: -80.003 bonds (distance) P-C4' energy: -84.420 flat angles C4'-P-C4' energy: -87.669 flat angles P-C4'-P energy: -62.506 tors. eta vs tors. theta energy: -119.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1267.686502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.686502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.686502 (E_RNA) where: Base-Base interactions energy: -839.607 where: short stacking energy: -359.424 Base-Backbone interact. energy: -3.715 local terms energy: -424.365310 where: bonds (distance) C4'-P energy: -82.827 bonds (distance) P-C4' energy: -87.911 flat angles C4'-P-C4' energy: -82.843 flat angles P-C4'-P energy: -66.667 tors. eta vs tors. theta energy: -104.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -909.086723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.086723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.086723 (E_RNA) where: Base-Base interactions energy: -555.518 where: short stacking energy: -244.982 Base-Backbone interact. energy: 0.456 local terms energy: -354.025017 where: bonds (distance) C4'-P energy: -81.602 bonds (distance) P-C4' energy: -84.853 flat angles C4'-P-C4' energy: -75.509 flat angles P-C4'-P energy: -56.863 tors. eta vs tors. theta energy: -55.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -851.513453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.513453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.513453 (E_RNA) where: Base-Base interactions energy: -513.275 where: short stacking energy: -242.167 Base-Backbone interact. energy: -0.256 local terms energy: -337.981975 where: bonds (distance) C4'-P energy: -71.007 bonds (distance) P-C4' energy: -79.485 flat angles C4'-P-C4' energy: -89.260 flat angles P-C4'-P energy: -50.562 tors. eta vs tors. theta energy: -47.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -676.119991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.119991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.119991 (E_RNA) where: Base-Base interactions energy: -359.153 where: short stacking energy: -201.503 Base-Backbone interact. energy: 4.698 local terms energy: -321.664648 where: bonds (distance) C4'-P energy: -87.174 bonds (distance) P-C4' energy: -83.748 flat angles C4'-P-C4' energy: -72.297 flat angles P-C4'-P energy: -48.808 tors. eta vs tors. theta energy: -29.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -547.948102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.948102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.948102 (E_RNA) where: Base-Base interactions energy: -282.554 where: short stacking energy: -157.183 Base-Backbone interact. energy: 1.274 local terms energy: -266.668642 where: bonds (distance) C4'-P energy: -70.932 bonds (distance) P-C4' energy: -73.641 flat angles C4'-P-C4' energy: -71.265 flat angles P-C4'-P energy: -41.610 tors. eta vs tors. theta energy: -9.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -374.936946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.936946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.936946 (E_RNA) where: Base-Base interactions energy: -140.098 where: short stacking energy: -87.087 Base-Backbone interact. energy: -2.408 local terms energy: -232.431271 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -91.060 flat angles C4'-P-C4' energy: -74.045 flat angles P-C4'-P energy: -24.938 tors. eta vs tors. theta energy: 20.275 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: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1571.934208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.934208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.934208 (E_RNA) where: Base-Base interactions energy: -1070.276 where: short stacking energy: -435.607 Base-Backbone interact. energy: -0.942 local terms energy: -500.716081 where: bonds (distance) C4'-P energy: -97.308 bonds (distance) P-C4' energy: -95.041 flat angles C4'-P-C4' energy: -108.401 flat angles P-C4'-P energy: -72.339 tors. eta vs tors. theta energy: -127.627 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: 2 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1495.542854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.542854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.542854 (E_RNA) where: Base-Base interactions energy: -1006.252 where: short stacking energy: -408.239 Base-Backbone interact. energy: -0.258 local terms energy: -489.032750 where: bonds (distance) C4'-P energy: -91.043 bonds (distance) P-C4' energy: -89.166 flat angles C4'-P-C4' energy: -101.461 flat angles P-C4'-P energy: -70.469 tors. eta vs tors. theta energy: -136.893 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: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1466.316105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.316105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.316105 (E_RNA) where: Base-Base interactions energy: -1014.449 where: short stacking energy: -429.113 Base-Backbone interact. energy: 0.561 local terms energy: -452.427693 where: bonds (distance) C4'-P energy: -72.616 bonds (distance) P-C4' energy: -72.590 flat angles C4'-P-C4' energy: -107.780 flat angles P-C4'-P energy: -69.173 tors. eta vs tors. theta energy: -130.269 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: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1387.515954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.515954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.515954 (E_RNA) where: Base-Base interactions energy: -963.192 where: short stacking energy: -399.174 Base-Backbone interact. energy: -1.973 local terms energy: -422.351475 where: bonds (distance) C4'-P energy: -74.867 bonds (distance) P-C4' energy: -80.145 flat angles C4'-P-C4' energy: -96.385 flat angles P-C4'-P energy: -54.785 tors. eta vs tors. theta energy: -116.169 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: 5 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1251.825594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.825594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.825594 (E_RNA) where: Base-Base interactions energy: -836.951 where: short stacking energy: -362.565 Base-Backbone interact. energy: -3.151 local terms energy: -411.724332 where: bonds (distance) C4'-P energy: -84.560 bonds (distance) P-C4' energy: -76.721 flat angles C4'-P-C4' energy: -89.909 flat angles P-C4'-P energy: -60.528 tors. eta vs tors. theta energy: -100.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -898.425033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.425033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.425033 (E_RNA) where: Base-Base interactions energy: -544.725 where: short stacking energy: -271.065 Base-Backbone interact. energy: -0.635 local terms energy: -353.064725 where: bonds (distance) C4'-P energy: -71.670 bonds (distance) P-C4' energy: -73.983 flat angles C4'-P-C4' energy: -88.079 flat angles P-C4'-P energy: -58.436 tors. eta vs tors. theta energy: -60.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -875.034308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.034308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.034308 (E_RNA) where: Base-Base interactions energy: -512.511 where: short stacking energy: -251.647 Base-Backbone interact. energy: 2.378 local terms energy: -364.901664 where: bonds (distance) C4'-P energy: -69.675 bonds (distance) P-C4' energy: -92.933 flat angles C4'-P-C4' energy: -92.720 flat angles P-C4'-P energy: -56.992 tors. eta vs tors. theta energy: -52.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -631.157363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.157363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.157363 (E_RNA) where: Base-Base interactions energy: -343.892 where: short stacking energy: -208.199 Base-Backbone interact. energy: -0.848 local terms energy: -286.417650 where: bonds (distance) C4'-P energy: -69.963 bonds (distance) P-C4' energy: -67.800 flat angles C4'-P-C4' energy: -71.711 flat angles P-C4'-P energy: -49.664 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: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -525.876083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.876083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.876083 (E_RNA) where: Base-Base interactions energy: -249.261 where: short stacking energy: -136.937 Base-Backbone interact. energy: -1.391 local terms energy: -275.224600 where: bonds (distance) C4'-P energy: -73.752 bonds (distance) P-C4' energy: -86.882 flat angles C4'-P-C4' energy: -68.392 flat angles P-C4'-P energy: -36.575 tors. eta vs tors. theta energy: -9.624 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: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -367.094739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.094739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.094739 (E_RNA) where: Base-Base interactions energy: -136.293 where: short stacking energy: -94.825 Base-Backbone interact. energy: 2.944 local terms energy: -233.745814 where: bonds (distance) C4'-P energy: -77.005 bonds (distance) P-C4' energy: -80.731 flat angles C4'-P-C4' energy: -56.539 flat angles P-C4'-P energy: -35.621 tors. eta vs tors. theta energy: 16.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1582.750637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.750637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.750637 (E_RNA) where: Base-Base interactions energy: -1075.382 where: short stacking energy: -426.872 Base-Backbone interact. energy: -1.764 local terms energy: -505.604541 where: bonds (distance) C4'-P energy: -94.210 bonds (distance) P-C4' energy: -99.367 flat angles C4'-P-C4' energy: -107.387 flat angles P-C4'-P energy: -72.755 tors. eta vs tors. theta energy: -131.887 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: 209 Temperature: 0.950000 Total energy: -1487.310715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.310715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.310715 (E_RNA) where: Base-Base interactions energy: -1033.447 where: short stacking energy: -420.343 Base-Backbone interact. energy: 2.704 local terms energy: -456.567329 where: bonds (distance) C4'-P energy: -85.776 bonds (distance) P-C4' energy: -90.933 flat angles C4'-P-C4' energy: -99.336 flat angles P-C4'-P energy: -61.633 tors. eta vs tors. theta energy: -118.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1477.992571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.992571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.992571 (E_RNA) where: Base-Base interactions energy: -1012.479 where: short stacking energy: -423.639 Base-Backbone interact. energy: -0.730 local terms energy: -464.783700 where: bonds (distance) C4'-P energy: -89.421 bonds (distance) P-C4' energy: -86.725 flat angles C4'-P-C4' energy: -96.187 flat angles P-C4'-P energy: -58.591 tors. eta vs tors. theta energy: -133.860 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: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1388.469957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.469957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.469957 (E_RNA) where: Base-Base interactions energy: -934.178 where: short stacking energy: -390.097 Base-Backbone interact. energy: -1.871 local terms energy: -452.421003 where: bonds (distance) C4'-P energy: -78.807 bonds (distance) P-C4' energy: -84.050 flat angles C4'-P-C4' energy: -105.065 flat angles P-C4'-P energy: -63.304 tors. eta vs tors. theta energy: -121.195 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: 5, replica: 5 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1257.374455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.374455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.374455 (E_RNA) where: Base-Base interactions energy: -828.446 where: short stacking energy: -363.868 Base-Backbone interact. energy: 1.158 local terms energy: -430.086604 where: bonds (distance) C4'-P energy: -84.286 bonds (distance) P-C4' energy: -82.350 flat angles C4'-P-C4' energy: -96.663 flat angles P-C4'-P energy: -67.272 tors. eta vs tors. theta energy: -99.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -888.453030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.453030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.453030 (E_RNA) where: Base-Base interactions energy: -536.813 where: short stacking energy: -260.640 Base-Backbone interact. energy: 2.881 local terms energy: -354.520541 where: bonds (distance) C4'-P energy: -82.856 bonds (distance) P-C4' energy: -69.915 flat angles C4'-P-C4' energy: -87.923 flat angles P-C4'-P energy: -51.474 tors. eta vs tors. theta energy: -62.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -866.111540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.111540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.111540 (E_RNA) where: Base-Base interactions energy: -531.193 where: short stacking energy: -269.753 Base-Backbone interact. energy: 1.622 local terms energy: -336.540777 where: bonds (distance) C4'-P energy: -70.081 bonds (distance) P-C4' energy: -77.789 flat angles C4'-P-C4' energy: -81.092 flat angles P-C4'-P energy: -51.490 tors. eta vs tors. theta energy: -56.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -612.391143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.391143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.391143 (E_RNA) where: Base-Base interactions energy: -329.223 where: short stacking energy: -171.761 Base-Backbone interact. energy: 2.018 local terms energy: -285.186919 where: bonds (distance) C4'-P energy: -76.948 bonds (distance) P-C4' energy: -90.201 flat angles C4'-P-C4' energy: -74.654 flat angles P-C4'-P energy: -33.794 tors. eta vs tors. theta energy: -9.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -528.339053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.339053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.339053 (E_RNA) where: Base-Base interactions energy: -264.148 where: short stacking energy: -141.432 Base-Backbone interact. energy: 5.528 local terms energy: -269.718855 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -82.612 flat angles C4'-P-C4' energy: -84.600 flat angles P-C4'-P energy: -36.041 tors. eta vs tors. theta energy: -5.541 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: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -402.427093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.427093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.427093 (E_RNA) where: Base-Base interactions energy: -149.983 where: short stacking energy: -123.226 Base-Backbone interact. energy: -0.377 local terms energy: -252.066695 where: bonds (distance) C4'-P energy: -80.628 bonds (distance) P-C4' energy: -72.181 flat angles C4'-P-C4' energy: -60.570 flat angles P-C4'-P energy: -36.381 tors. eta vs tors. theta energy: -2.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1585.538634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.538634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.538634 (E_RNA) where: Base-Base interactions energy: -1095.687 where: short stacking energy: -457.337 Base-Backbone interact. energy: -2.079 local terms energy: -487.771795 where: bonds (distance) C4'-P energy: -82.722 bonds (distance) P-C4' energy: -90.934 flat angles C4'-P-C4' energy: -105.711 flat angles P-C4'-P energy: -67.824 tors. eta vs tors. theta energy: -140.582 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: 210 Temperature: 0.950000 Total energy: -1502.488503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.488503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.488503 (E_RNA) where: Base-Base interactions energy: -1021.849 where: short stacking energy: -417.061 Base-Backbone interact. energy: 1.660 local terms energy: -482.299230 where: bonds (distance) C4'-P energy: -101.037 bonds (distance) P-C4' energy: -88.201 flat angles C4'-P-C4' energy: -96.022 flat angles P-C4'-P energy: -71.778 tors. eta vs tors. theta energy: -125.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1456.181244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.181244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.181244 (E_RNA) where: Base-Base interactions energy: -994.799 where: short stacking energy: -426.354 Base-Backbone interact. energy: 0.475 local terms energy: -461.856659 where: bonds (distance) C4'-P energy: -84.404 bonds (distance) P-C4' energy: -94.595 flat angles C4'-P-C4' energy: -92.475 flat angles P-C4'-P energy: -70.968 tors. eta vs tors. theta energy: -119.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1396.173064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.173064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.173064 (E_RNA) where: Base-Base interactions energy: -937.711 where: short stacking energy: -411.796 Base-Backbone interact. energy: 0.098 local terms energy: -458.559672 where: bonds (distance) C4'-P energy: -85.742 bonds (distance) P-C4' energy: -95.115 flat angles C4'-P-C4' energy: -101.723 flat angles P-C4'-P energy: -56.903 tors. eta vs tors. theta energy: -119.076 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: 5, replica: 5 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1241.821253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.821253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.821253 (E_RNA) where: Base-Base interactions energy: -838.968 where: short stacking energy: -373.858 Base-Backbone interact. energy: -2.427 local terms energy: -400.426399 where: bonds (distance) C4'-P energy: -80.172 bonds (distance) P-C4' energy: -82.693 flat angles C4'-P-C4' energy: -88.672 flat angles P-C4'-P energy: -51.142 tors. eta vs tors. theta energy: -97.747 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: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -912.276618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.276618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.276618 (E_RNA) where: Base-Base interactions energy: -540.001 where: short stacking energy: -270.921 Base-Backbone interact. energy: 0.493 local terms energy: -372.768324 where: bonds (distance) C4'-P energy: -91.639 bonds (distance) P-C4' energy: -86.540 flat angles C4'-P-C4' energy: -82.876 flat angles P-C4'-P energy: -47.833 tors. eta vs tors. theta energy: -63.880 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: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -874.417905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.417905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.417905 (E_RNA) where: Base-Base interactions energy: -529.859 where: short stacking energy: -249.702 Base-Backbone interact. energy: -0.199 local terms energy: -344.359843 where: bonds (distance) C4'-P energy: -58.022 bonds (distance) P-C4' energy: -85.861 flat angles C4'-P-C4' energy: -80.609 flat angles P-C4'-P energy: -63.847 tors. eta vs tors. theta energy: -56.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -634.902361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.902361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.902361 (E_RNA) where: Base-Base interactions energy: -349.497 where: short stacking energy: -175.450 Base-Backbone interact. energy: -0.609 local terms energy: -284.796278 where: bonds (distance) C4'-P energy: -68.903 bonds (distance) P-C4' energy: -80.100 flat angles C4'-P-C4' energy: -73.381 flat angles P-C4'-P energy: -40.756 tors. eta vs tors. theta energy: -21.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -533.686854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.686854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.686854 (E_RNA) where: Base-Base interactions energy: -260.218 where: short stacking energy: -145.747 Base-Backbone interact. energy: 0.072 local terms energy: -273.540733 where: bonds (distance) C4'-P energy: -82.661 bonds (distance) P-C4' energy: -81.223 flat angles C4'-P-C4' energy: -63.751 flat angles P-C4'-P energy: -49.629 tors. eta vs tors. theta energy: 3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -369.482357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.482357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.482357 (E_RNA) where: Base-Base interactions energy: -141.869 where: short stacking energy: -85.811 Base-Backbone interact. energy: 0.176 local terms energy: -227.789087 where: bonds (distance) C4'-P energy: -67.883 bonds (distance) P-C4' energy: -86.859 flat angles C4'-P-C4' energy: -64.915 flat angles P-C4'-P energy: -31.247 tors. eta vs tors. theta energy: 23.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1594.598190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.598190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.598190 (E_RNA) where: Base-Base interactions energy: -1116.484 where: short stacking energy: -439.390 Base-Backbone interact. energy: -2.336 local terms energy: -475.778567 where: bonds (distance) C4'-P energy: -93.003 bonds (distance) P-C4' energy: -87.098 flat angles C4'-P-C4' energy: -94.552 flat angles P-C4'-P energy: -71.093 tors. eta vs tors. theta energy: -130.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1492.487442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.487442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.487442 (E_RNA) where: Base-Base interactions energy: -1013.747 where: short stacking energy: -431.554 Base-Backbone interact. energy: -2.621 local terms energy: -476.119326 where: bonds (distance) C4'-P energy: -87.926 bonds (distance) P-C4' energy: -86.971 flat angles C4'-P-C4' energy: -103.607 flat angles P-C4'-P energy: -67.408 tors. eta vs tors. theta energy: -130.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1497.802386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.802386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.802386 (E_RNA) where: Base-Base interactions energy: -1027.466 where: short stacking energy: -424.192 Base-Backbone interact. energy: 2.483 local terms energy: -472.819206 where: bonds (distance) C4'-P energy: -80.045 bonds (distance) P-C4' energy: -90.634 flat angles C4'-P-C4' energy: -91.221 flat angles P-C4'-P energy: -78.844 tors. eta vs tors. theta energy: -132.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1398.652768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.652768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.652768 (E_RNA) where: Base-Base interactions energy: -944.023 where: short stacking energy: -383.236 Base-Backbone interact. energy: -1.524 local terms energy: -453.106098 where: bonds (distance) C4'-P energy: -81.631 bonds (distance) P-C4' energy: -92.103 flat angles C4'-P-C4' energy: -96.319 flat angles P-C4'-P energy: -58.151 tors. eta vs tors. theta energy: -124.902 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: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1246.220933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.220933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.220933 (E_RNA) where: Base-Base interactions energy: -845.352 where: short stacking energy: -369.737 Base-Backbone interact. energy: 0.942 local terms energy: -401.811622 where: bonds (distance) C4'-P energy: -83.587 bonds (distance) P-C4' energy: -85.795 flat angles C4'-P-C4' energy: -93.358 flat angles P-C4'-P energy: -39.965 tors. eta vs tors. theta energy: -99.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -935.025018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.025018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.025018 (E_RNA) where: Base-Base interactions energy: -569.104 where: short stacking energy: -268.619 Base-Backbone interact. energy: 0.005 local terms energy: -365.925884 where: bonds (distance) C4'-P energy: -78.457 bonds (distance) P-C4' energy: -90.628 flat angles C4'-P-C4' energy: -82.730 flat angles P-C4'-P energy: -56.016 tors. eta vs tors. theta energy: -58.095 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: 211 Temperature: 1.200000 Total energy: -896.264442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.264442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.264442 (E_RNA) where: Base-Base interactions energy: -545.315 where: short stacking energy: -270.019 Base-Backbone interact. energy: -3.936 local terms energy: -347.013736 where: bonds (distance) C4'-P energy: -80.440 bonds (distance) P-C4' energy: -84.701 flat angles C4'-P-C4' energy: -74.191 flat angles P-C4'-P energy: -49.000 tors. eta vs tors. theta energy: -58.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -627.140816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.140816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.140816 (E_RNA) where: Base-Base interactions energy: -337.665 where: short stacking energy: -195.496 Base-Backbone interact. energy: 0.671 local terms energy: -290.146342 where: bonds (distance) C4'-P energy: -80.345 bonds (distance) P-C4' energy: -86.613 flat angles C4'-P-C4' energy: -63.056 flat angles P-C4'-P energy: -40.358 tors. eta vs tors. theta energy: -19.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -586.402143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.402143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.402143 (E_RNA) where: Base-Base interactions energy: -311.415 where: short stacking energy: -160.651 Base-Backbone interact. energy: 3.648 local terms energy: -278.635913 where: bonds (distance) C4'-P energy: -74.979 bonds (distance) P-C4' energy: -91.879 flat angles C4'-P-C4' energy: -69.217 flat angles P-C4'-P energy: -37.458 tors. eta vs tors. theta energy: -5.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -355.942548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.942548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.942548 (E_RNA) where: Base-Base interactions energy: -141.662 where: short stacking energy: -110.075 Base-Backbone interact. energy: 2.374 local terms energy: -216.654518 where: bonds (distance) C4'-P energy: -67.354 bonds (distance) P-C4' energy: -70.853 flat angles C4'-P-C4' energy: -57.492 flat angles P-C4'-P energy: -32.880 tors. eta vs tors. theta energy: 11.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1601.810775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.810775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.810775 (E_RNA) where: Base-Base interactions energy: -1118.954 where: short stacking energy: -452.854 Base-Backbone interact. energy: -2.947 local terms energy: -479.908906 where: bonds (distance) C4'-P energy: -86.461 bonds (distance) P-C4' energy: -86.823 flat angles C4'-P-C4' energy: -96.709 flat angles P-C4'-P energy: -70.970 tors. eta vs tors. theta energy: -138.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1521.892473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.892473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.892473 (E_RNA) where: Base-Base interactions energy: -1037.974 where: short stacking energy: -420.969 Base-Backbone interact. energy: -1.450 local terms energy: -482.467671 where: bonds (distance) C4'-P energy: -93.271 bonds (distance) P-C4' energy: -92.845 flat angles C4'-P-C4' energy: -102.902 flat angles P-C4'-P energy: -70.996 tors. eta vs tors. theta energy: -122.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1486.766355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.766355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.766355 (E_RNA) where: Base-Base interactions energy: -1041.499 where: short stacking energy: -440.569 Base-Backbone interact. energy: 6.693 local terms energy: -451.960176 where: bonds (distance) C4'-P energy: -78.029 bonds (distance) P-C4' energy: -89.106 flat angles C4'-P-C4' energy: -100.752 flat angles P-C4'-P energy: -60.706 tors. eta vs tors. theta energy: -123.368 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: 212 Temperature: 1.050000 Total energy: -1411.043493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.043493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.043493 (E_RNA) where: Base-Base interactions energy: -934.107 where: short stacking energy: -403.555 Base-Backbone interact. energy: -2.078 local terms energy: -474.858223 where: bonds (distance) C4'-P energy: -83.969 bonds (distance) P-C4' energy: -81.511 flat angles C4'-P-C4' energy: -106.113 flat angles P-C4'-P energy: -72.210 tors. eta vs tors. theta energy: -131.055 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: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1276.807169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.807169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.807169 (E_RNA) where: Base-Base interactions energy: -867.187 where: short stacking energy: -361.226 Base-Backbone interact. energy: 1.482 local terms energy: -411.101915 where: bonds (distance) C4'-P energy: -84.471 bonds (distance) P-C4' energy: -77.274 flat angles C4'-P-C4' energy: -89.851 flat angles P-C4'-P energy: -53.416 tors. eta vs tors. theta energy: -106.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -901.794681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.794681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.794681 (E_RNA) where: Base-Base interactions energy: -549.482 where: short stacking energy: -265.590 Base-Backbone interact. energy: 0.344 local terms energy: -352.656505 where: bonds (distance) C4'-P energy: -70.834 bonds (distance) P-C4' energy: -81.437 flat angles C4'-P-C4' energy: -85.249 flat angles P-C4'-P energy: -57.340 tors. eta vs tors. theta energy: -57.797 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: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -896.935980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.935980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.935980 (E_RNA) where: Base-Base interactions energy: -552.396 where: short stacking energy: -252.360 Base-Backbone interact. energy: -2.013 local terms energy: -342.526697 where: bonds (distance) C4'-P energy: -78.132 bonds (distance) P-C4' energy: -79.293 flat angles C4'-P-C4' energy: -80.152 flat angles P-C4'-P energy: -46.288 tors. eta vs tors. theta energy: -58.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -606.347289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.347289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.347289 (E_RNA) where: Base-Base interactions energy: -294.155 where: short stacking energy: -187.155 Base-Backbone interact. energy: 0.257 local terms energy: -312.449087 where: bonds (distance) C4'-P energy: -83.383 bonds (distance) P-C4' energy: -85.364 flat angles C4'-P-C4' energy: -76.391 flat angles P-C4'-P energy: -49.841 tors. eta vs tors. theta energy: -17.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -582.176720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.176720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.176720 (E_RNA) where: Base-Base interactions energy: -287.376 where: short stacking energy: -154.672 Base-Backbone interact. energy: -1.765 local terms energy: -293.036229 where: bonds (distance) C4'-P energy: -68.762 bonds (distance) P-C4' energy: -82.616 flat angles C4'-P-C4' energy: -68.907 flat angles P-C4'-P energy: -52.361 tors. eta vs tors. theta energy: -20.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -367.836583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.836583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.836583 (E_RNA) where: Base-Base interactions energy: -138.685 where: short stacking energy: -65.101 Base-Backbone interact. energy: -0.165 local terms energy: -228.987373 where: bonds (distance) C4'-P energy: -76.464 bonds (distance) P-C4' energy: -77.933 flat angles C4'-P-C4' energy: -67.879 flat angles P-C4'-P energy: -34.332 tors. eta vs tors. theta energy: 27.620 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: 1, replica: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1575.597243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.597243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.597243 (E_RNA) where: Base-Base interactions energy: -1087.943 where: short stacking energy: -435.729 Base-Backbone interact. energy: -2.189 local terms energy: -485.465333 where: bonds (distance) C4'-P energy: -90.890 bonds (distance) P-C4' energy: -90.518 flat angles C4'-P-C4' energy: -99.617 flat angles P-C4'-P energy: -65.455 tors. eta vs tors. theta energy: -138.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1514.952964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.952964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.952964 (E_RNA) where: Base-Base interactions energy: -1043.878 where: short stacking energy: -422.228 Base-Backbone interact. energy: -1.755 local terms energy: -469.319895 where: bonds (distance) C4'-P energy: -79.763 bonds (distance) P-C4' energy: -84.212 flat angles C4'-P-C4' energy: -109.809 flat angles P-C4'-P energy: -62.021 tors. eta vs tors. theta energy: -133.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1490.388633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.388633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.388633 (E_RNA) where: Base-Base interactions energy: -1019.600 where: short stacking energy: -403.445 Base-Backbone interact. energy: -0.764 local terms energy: -470.024886 where: bonds (distance) C4'-P energy: -90.821 bonds (distance) P-C4' energy: -79.272 flat angles C4'-P-C4' energy: -106.556 flat angles P-C4'-P energy: -66.228 tors. eta vs tors. theta energy: -127.148 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: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1390.157724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.157724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.157724 (E_RNA) where: Base-Base interactions energy: -954.840 where: short stacking energy: -396.543 Base-Backbone interact. energy: -1.127 local terms energy: -434.190977 where: bonds (distance) C4'-P energy: -82.088 bonds (distance) P-C4' energy: -75.668 flat angles C4'-P-C4' energy: -95.454 flat angles P-C4'-P energy: -64.585 tors. eta vs tors. theta energy: -116.395 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: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1292.817510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.817510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.817510 (E_RNA) where: Base-Base interactions energy: -874.220 where: short stacking energy: -377.512 Base-Backbone interact. energy: -2.008 local terms energy: -416.588991 where: bonds (distance) C4'-P energy: -76.351 bonds (distance) P-C4' energy: -86.543 flat angles C4'-P-C4' energy: -80.338 flat angles P-C4'-P energy: -68.565 tors. eta vs tors. theta energy: -104.792 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: 213 Temperature: 1.150000 Total energy: -949.881560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.881560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.881560 (E_RNA) where: Base-Base interactions energy: -579.183 where: short stacking energy: -286.422 Base-Backbone interact. energy: -2.076 local terms energy: -368.622205 where: bonds (distance) C4'-P energy: -74.136 bonds (distance) P-C4' energy: -78.936 flat angles C4'-P-C4' energy: -75.992 flat angles P-C4'-P energy: -68.011 tors. eta vs tors. theta energy: -71.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -895.231986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.231986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.231986 (E_RNA) where: Base-Base interactions energy: -553.965 where: short stacking energy: -252.508 Base-Backbone interact. energy: -3.077 local terms energy: -338.190308 where: bonds (distance) C4'-P energy: -76.232 bonds (distance) P-C4' energy: -84.898 flat angles C4'-P-C4' energy: -88.787 flat angles P-C4'-P energy: -46.777 tors. eta vs tors. theta energy: -41.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -579.914282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.914282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.914282 (E_RNA) where: Base-Base interactions energy: -301.770 where: short stacking energy: -164.920 Base-Backbone interact. energy: 0.510 local terms energy: -278.654431 where: bonds (distance) C4'-P energy: -80.427 bonds (distance) P-C4' energy: -78.681 flat angles C4'-P-C4' energy: -68.470 flat angles P-C4'-P energy: -43.667 tors. eta vs tors. theta energy: -7.409 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: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -535.072438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.072438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.072438 (E_RNA) where: Base-Base interactions energy: -250.691 where: short stacking energy: -137.211 Base-Backbone interact. energy: 1.240 local terms energy: -285.621424 where: bonds (distance) C4'-P energy: -78.749 bonds (distance) P-C4' energy: -77.633 flat angles C4'-P-C4' energy: -79.720 flat angles P-C4'-P energy: -41.087 tors. eta vs tors. theta energy: -8.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -402.830363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.830363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.830363 (E_RNA) where: Base-Base interactions energy: -171.862 where: short stacking energy: -118.673 Base-Backbone interact. energy: 1.111 local terms energy: -232.078683 where: bonds (distance) C4'-P energy: -71.557 bonds (distance) P-C4' energy: -74.886 flat angles C4'-P-C4' energy: -63.263 flat angles P-C4'-P energy: -37.694 tors. eta vs tors. theta energy: 15.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1595.250439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.250439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.250439 (E_RNA) where: Base-Base interactions energy: -1102.197 where: short stacking energy: -474.065 Base-Backbone interact. energy: -0.929 local terms energy: -492.124070 where: bonds (distance) C4'-P energy: -86.725 bonds (distance) P-C4' energy: -91.478 flat angles C4'-P-C4' energy: -108.479 flat angles P-C4'-P energy: -69.881 tors. eta vs tors. theta energy: -135.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1508.360805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.360805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.360805 (E_RNA) where: Base-Base interactions energy: -1031.045 where: short stacking energy: -432.366 Base-Backbone interact. energy: -2.389 local terms energy: -474.926779 where: bonds (distance) C4'-P energy: -87.807 bonds (distance) P-C4' energy: -98.452 flat angles C4'-P-C4' energy: -100.874 flat angles P-C4'-P energy: -66.121 tors. eta vs tors. theta energy: -121.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1475.164525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.164525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.164525 (E_RNA) where: Base-Base interactions energy: -993.771 where: short stacking energy: -407.549 Base-Backbone interact. energy: -2.036 local terms energy: -479.357722 where: bonds (distance) C4'-P energy: -77.816 bonds (distance) P-C4' energy: -91.867 flat angles C4'-P-C4' energy: -101.969 flat angles P-C4'-P energy: -71.716 tors. eta vs tors. theta energy: -135.989 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: 214 Temperature: 1.050000 Total energy: -1381.854694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.854694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.854694 (E_RNA) where: Base-Base interactions energy: -921.321 where: short stacking energy: -405.098 Base-Backbone interact. energy: -1.680 local terms energy: -458.853336 where: bonds (distance) C4'-P energy: -92.759 bonds (distance) P-C4' energy: -87.802 flat angles C4'-P-C4' energy: -97.088 flat angles P-C4'-P energy: -59.754 tors. eta vs tors. theta energy: -121.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1325.427843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.427843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.427843 (E_RNA) where: Base-Base interactions energy: -881.408 where: short stacking energy: -383.742 Base-Backbone interact. energy: -1.468 local terms energy: -442.551553 where: bonds (distance) C4'-P energy: -87.193 bonds (distance) P-C4' energy: -92.505 flat angles C4'-P-C4' energy: -86.195 flat angles P-C4'-P energy: -63.019 tors. eta vs tors. theta energy: -113.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -954.762706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.762706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.762706 (E_RNA) where: Base-Base interactions energy: -585.081 where: short stacking energy: -304.336 Base-Backbone interact. energy: 0.817 local terms energy: -370.498567 where: bonds (distance) C4'-P energy: -78.281 bonds (distance) P-C4' energy: -80.566 flat angles C4'-P-C4' energy: -84.892 flat angles P-C4'-P energy: -53.030 tors. eta vs tors. theta energy: -73.730 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: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -875.453943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.453943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.453943 (E_RNA) where: Base-Base interactions energy: -545.994 where: short stacking energy: -268.881 Base-Backbone interact. energy: 0.555 local terms energy: -330.014887 where: bonds (distance) C4'-P energy: -70.196 bonds (distance) P-C4' energy: -69.928 flat angles C4'-P-C4' energy: -80.739 flat angles P-C4'-P energy: -49.153 tors. eta vs tors. theta energy: -59.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -580.618089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.618089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.618089 (E_RNA) where: Base-Base interactions energy: -302.338 where: short stacking energy: -176.990 Base-Backbone interact. energy: -1.540 local terms energy: -276.740349 where: bonds (distance) C4'-P energy: -83.897 bonds (distance) P-C4' energy: -73.029 flat angles C4'-P-C4' energy: -70.970 flat angles P-C4'-P energy: -38.882 tors. eta vs tors. theta energy: -9.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -528.178472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.178472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.178472 (E_RNA) where: Base-Base interactions energy: -260.233 where: short stacking energy: -160.068 Base-Backbone interact. energy: 1.689 local terms energy: -269.634834 where: bonds (distance) C4'-P energy: -67.797 bonds (distance) P-C4' energy: -75.735 flat angles C4'-P-C4' energy: -62.275 flat angles P-C4'-P energy: -56.564 tors. eta vs tors. theta energy: -7.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -360.842191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.842191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.842191 (E_RNA) where: Base-Base interactions energy: -126.220 where: short stacking energy: -90.032 Base-Backbone interact. energy: -1.722 local terms energy: -232.900808 where: bonds (distance) C4'-P energy: -79.329 bonds (distance) P-C4' energy: -70.353 flat angles C4'-P-C4' energy: -53.234 flat angles P-C4'-P energy: -38.348 tors. eta vs tors. theta energy: 8.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1576.853265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.853265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.853265 (E_RNA) where: Base-Base interactions energy: -1067.952 where: short stacking energy: -467.945 Base-Backbone interact. energy: 0.579 local terms energy: -509.479853 where: bonds (distance) C4'-P energy: -92.276 bonds (distance) P-C4' energy: -95.791 flat angles C4'-P-C4' energy: -109.902 flat angles P-C4'-P energy: -65.172 tors. eta vs tors. theta energy: -146.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1518.386218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.386218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.386218 (E_RNA) where: Base-Base interactions energy: -1043.304 where: short stacking energy: -432.583 Base-Backbone interact. energy: -2.062 local terms energy: -473.020172 where: bonds (distance) C4'-P energy: -83.923 bonds (distance) P-C4' energy: -91.698 flat angles C4'-P-C4' energy: -100.389 flat angles P-C4'-P energy: -71.952 tors. eta vs tors. theta energy: -125.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1465.263213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.263213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.263213 (E_RNA) where: Base-Base interactions energy: -984.828 where: short stacking energy: -398.060 Base-Backbone interact. energy: -0.534 local terms energy: -479.901564 where: bonds (distance) C4'-P energy: -90.728 bonds (distance) P-C4' energy: -91.604 flat angles C4'-P-C4' energy: -107.908 flat angles P-C4'-P energy: -65.875 tors. eta vs tors. theta energy: -123.787 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: 215 Temperature: 1.050000 Total energy: -1397.088843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.088843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.088843 (E_RNA) where: Base-Base interactions energy: -946.504 where: short stacking energy: -417.041 Base-Backbone interact. energy: -1.154 local terms energy: -449.430938 where: bonds (distance) C4'-P energy: -89.009 bonds (distance) P-C4' energy: -79.292 flat angles C4'-P-C4' energy: -89.200 flat angles P-C4'-P energy: -67.987 tors. eta vs tors. theta energy: -123.943 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: 5 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1300.157908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.157908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.157908 (E_RNA) where: Base-Base interactions energy: -875.266 where: short stacking energy: -375.151 Base-Backbone interact. energy: -1.438 local terms energy: -423.454537 where: bonds (distance) C4'-P energy: -81.498 bonds (distance) P-C4' energy: -79.222 flat angles C4'-P-C4' energy: -87.077 flat angles P-C4'-P energy: -62.166 tors. eta vs tors. theta energy: -113.492 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: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -970.696524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.696524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.696524 (E_RNA) where: Base-Base interactions energy: -581.487 where: short stacking energy: -281.283 Base-Backbone interact. energy: 2.082 local terms energy: -391.291953 where: bonds (distance) C4'-P energy: -78.360 bonds (distance) P-C4' energy: -91.485 flat angles C4'-P-C4' energy: -97.002 flat angles P-C4'-P energy: -58.887 tors. eta vs tors. theta energy: -65.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -874.857703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.857703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.857703 (E_RNA) where: Base-Base interactions energy: -525.527 where: short stacking energy: -233.146 Base-Backbone interact. energy: -1.778 local terms energy: -347.552317 where: bonds (distance) C4'-P energy: -74.780 bonds (distance) P-C4' energy: -90.891 flat angles C4'-P-C4' energy: -83.436 flat angles P-C4'-P energy: -38.035 tors. eta vs tors. theta energy: -60.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -593.760186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.760186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.760186 (E_RNA) where: Base-Base interactions energy: -306.228 where: short stacking energy: -169.849 Base-Backbone interact. energy: -2.551 local terms energy: -284.981031 where: bonds (distance) C4'-P energy: -76.135 bonds (distance) P-C4' energy: -72.697 flat angles C4'-P-C4' energy: -85.622 flat angles P-C4'-P energy: -39.367 tors. eta vs tors. theta energy: -11.160 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: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -514.902289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.902289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.902289 (E_RNA) where: Base-Base interactions energy: -241.446 where: short stacking energy: -143.061 Base-Backbone interact. energy: 2.870 local terms energy: -276.325912 where: bonds (distance) C4'-P energy: -73.400 bonds (distance) P-C4' energy: -86.865 flat angles C4'-P-C4' energy: -55.077 flat angles P-C4'-P energy: -55.911 tors. eta vs tors. theta energy: -5.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -361.642931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.642931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.642931 (E_RNA) where: Base-Base interactions energy: -125.609 where: short stacking energy: -102.735 Base-Backbone interact. energy: 3.815 local terms energy: -239.849554 where: bonds (distance) C4'-P energy: -87.276 bonds (distance) P-C4' energy: -64.121 flat angles C4'-P-C4' energy: -59.755 flat angles P-C4'-P energy: -37.398 tors. eta vs tors. theta energy: 8.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1566.739303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.739303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.739303 (E_RNA) where: Base-Base interactions energy: -1076.759 where: short stacking energy: -473.543 Base-Backbone interact. energy: -1.532 local terms energy: -488.448571 where: bonds (distance) C4'-P energy: -91.182 bonds (distance) P-C4' energy: -85.191 flat angles C4'-P-C4' energy: -104.101 flat angles P-C4'-P energy: -72.245 tors. eta vs tors. theta energy: -135.729 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: 8 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1537.641345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.641345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.641345 (E_RNA) where: Base-Base interactions energy: -1084.349 where: short stacking energy: -441.854 Base-Backbone interact. energy: -0.284 local terms energy: -453.008399 where: bonds (distance) C4'-P energy: -77.560 bonds (distance) P-C4' energy: -87.081 flat angles C4'-P-C4' energy: -95.144 flat angles P-C4'-P energy: -56.566 tors. eta vs tors. theta energy: -136.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1501.269592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.269592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.269592 (E_RNA) where: Base-Base interactions energy: -1039.449 where: short stacking energy: -421.225 Base-Backbone interact. energy: -0.262 local terms energy: -461.558101 where: bonds (distance) C4'-P energy: -82.487 bonds (distance) P-C4' energy: -90.955 flat angles C4'-P-C4' energy: -98.353 flat angles P-C4'-P energy: -62.098 tors. eta vs tors. theta energy: -127.664 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: 216 Temperature: 1.050000 Total energy: -1372.465663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.465663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.465663 (E_RNA) where: Base-Base interactions energy: -944.548 where: short stacking energy: -416.287 Base-Backbone interact. energy: 0.736 local terms energy: -428.653854 where: bonds (distance) C4'-P energy: -66.609 bonds (distance) P-C4' energy: -77.768 flat angles C4'-P-C4' energy: -83.345 flat angles P-C4'-P energy: -78.214 tors. eta vs tors. theta energy: -122.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1271.853060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.853060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.853060 (E_RNA) where: Base-Base interactions energy: -845.977 where: short stacking energy: -355.671 Base-Backbone interact. energy: -0.963 local terms energy: -424.913343 where: bonds (distance) C4'-P energy: -93.724 bonds (distance) P-C4' energy: -83.777 flat angles C4'-P-C4' energy: -96.423 flat angles P-C4'-P energy: -52.825 tors. eta vs tors. theta energy: -98.164 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: 216 Temperature: 1.150000 Total energy: -962.186908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.186908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.186908 (E_RNA) where: Base-Base interactions energy: -591.342 where: short stacking energy: -284.746 Base-Backbone interact. energy: 2.402 local terms energy: -373.246550 where: bonds (distance) C4'-P energy: -82.738 bonds (distance) P-C4' energy: -84.823 flat angles C4'-P-C4' energy: -85.639 flat angles P-C4'-P energy: -56.212 tors. eta vs tors. theta energy: -63.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -888.116928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.116928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.116928 (E_RNA) where: Base-Base interactions energy: -533.671 where: short stacking energy: -255.575 Base-Backbone interact. energy: 5.021 local terms energy: -359.466799 where: bonds (distance) C4'-P energy: -88.335 bonds (distance) P-C4' energy: -80.626 flat angles C4'-P-C4' energy: -79.401 flat angles P-C4'-P energy: -55.000 tors. eta vs tors. theta energy: -56.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -585.685482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.685482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.685482 (E_RNA) where: Base-Base interactions energy: -299.427 where: short stacking energy: -174.094 Base-Backbone interact. energy: -1.007 local terms energy: -285.251049 where: bonds (distance) C4'-P energy: -77.194 bonds (distance) P-C4' energy: -80.587 flat angles C4'-P-C4' energy: -69.158 flat angles P-C4'-P energy: -52.834 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -565.649839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.649839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.649839 (E_RNA) where: Base-Base interactions energy: -266.626 where: short stacking energy: -132.877 Base-Backbone interact. energy: -0.817 local terms energy: -298.207009 where: bonds (distance) C4'-P energy: -79.853 bonds (distance) P-C4' energy: -77.847 flat angles C4'-P-C4' energy: -72.591 flat angles P-C4'-P energy: -49.909 tors. eta vs tors. theta energy: -18.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -353.539379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.539379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.539379 (E_RNA) where: Base-Base interactions energy: -106.791 where: short stacking energy: -95.075 Base-Backbone interact. energy: -2.861 local terms energy: -243.887627 where: bonds (distance) C4'-P energy: -81.060 bonds (distance) P-C4' energy: -83.322 flat angles C4'-P-C4' energy: -74.848 flat angles P-C4'-P energy: -23.548 tors. eta vs tors. theta energy: 18.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1563.773444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.773444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.773444 (E_RNA) where: Base-Base interactions energy: -1058.976 where: short stacking energy: -445.928 Base-Backbone interact. energy: -0.975 local terms energy: -503.822520 where: bonds (distance) C4'-P energy: -88.666 bonds (distance) P-C4' energy: -91.054 flat angles C4'-P-C4' energy: -108.956 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: -139.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1551.883594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.883594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.883594 (E_RNA) where: Base-Base interactions energy: -1058.903 where: short stacking energy: -447.313 Base-Backbone interact. energy: 0.666 local terms energy: -493.646259 where: bonds (distance) C4'-P energy: -95.153 bonds (distance) P-C4' energy: -91.093 flat angles C4'-P-C4' energy: -104.254 flat angles P-C4'-P energy: -70.066 tors. eta vs tors. theta energy: -133.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1491.335473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.335473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.335473 (E_RNA) where: Base-Base interactions energy: -1022.779 where: short stacking energy: -411.902 Base-Backbone interact. energy: -0.578 local terms energy: -467.978745 where: bonds (distance) C4'-P energy: -87.107 bonds (distance) P-C4' energy: -82.799 flat angles C4'-P-C4' energy: -100.886 flat angles P-C4'-P energy: -70.040 tors. eta vs tors. theta energy: -127.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1356.304536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.304536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.304536 (E_RNA) where: Base-Base interactions energy: -929.385 where: short stacking energy: -402.095 Base-Backbone interact. energy: -2.120 local terms energy: -424.799200 where: bonds (distance) C4'-P energy: -74.829 bonds (distance) P-C4' energy: -79.734 flat angles C4'-P-C4' energy: -90.318 flat angles P-C4'-P energy: -62.247 tors. eta vs tors. theta energy: -117.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1251.221302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.221302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.221302 (E_RNA) where: Base-Base interactions energy: -817.548 where: short stacking energy: -338.088 Base-Backbone interact. energy: -1.624 local terms energy: -432.049652 where: bonds (distance) C4'-P energy: -92.953 bonds (distance) P-C4' energy: -93.568 flat angles C4'-P-C4' energy: -94.761 flat angles P-C4'-P energy: -62.633 tors. eta vs tors. theta energy: -88.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -955.262788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.262788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.262788 (E_RNA) where: Base-Base interactions energy: -614.286 where: short stacking energy: -278.830 Base-Backbone interact. energy: 0.588 local terms energy: -341.564496 where: bonds (distance) C4'-P energy: -82.860 bonds (distance) P-C4' energy: -75.099 flat angles C4'-P-C4' energy: -73.485 flat angles P-C4'-P energy: -43.708 tors. eta vs tors. theta energy: -66.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -908.554732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.554732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.554732 (E_RNA) where: Base-Base interactions energy: -577.556 where: short stacking energy: -269.642 Base-Backbone interact. energy: 2.178 local terms energy: -333.176941 where: bonds (distance) C4'-P energy: -71.380 bonds (distance) P-C4' energy: -78.194 flat angles C4'-P-C4' energy: -71.979 flat angles P-C4'-P energy: -47.320 tors. eta vs tors. theta energy: -64.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -594.867236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.867236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.867236 (E_RNA) where: Base-Base interactions energy: -288.179 where: short stacking energy: -160.271 Base-Backbone interact. energy: -1.505 local terms energy: -305.182921 where: bonds (distance) C4'-P energy: -77.755 bonds (distance) P-C4' energy: -87.819 flat angles C4'-P-C4' energy: -77.531 flat angles P-C4'-P energy: -52.387 tors. eta vs tors. theta energy: -9.692 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: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -552.709176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.709176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.709176 (E_RNA) where: Base-Base interactions energy: -290.194 where: short stacking energy: -154.977 Base-Backbone interact. energy: -2.507 local terms energy: -260.008393 where: bonds (distance) C4'-P energy: -83.118 bonds (distance) P-C4' energy: -63.866 flat angles C4'-P-C4' energy: -63.970 flat angles P-C4'-P energy: -39.785 tors. eta vs tors. theta energy: -9.269 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: 9 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -343.482706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.482706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.482706 (E_RNA) where: Base-Base interactions energy: -113.474 where: short stacking energy: -90.410 Base-Backbone interact. energy: -0.337 local terms energy: -229.671863 where: bonds (distance) C4'-P energy: -80.296 bonds (distance) P-C4' energy: -82.714 flat angles C4'-P-C4' energy: -46.847 flat angles P-C4'-P energy: -31.851 tors. eta vs tors. theta energy: 12.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1604.237851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.237851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.237851 (E_RNA) where: Base-Base interactions energy: -1113.008 where: short stacking energy: -465.498 Base-Backbone interact. energy: -2.625 local terms energy: -488.604953 where: bonds (distance) C4'-P energy: -89.739 bonds (distance) P-C4' energy: -79.690 flat angles C4'-P-C4' energy: -110.190 flat angles P-C4'-P energy: -68.195 tors. eta vs tors. theta energy: -140.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1546.318364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.318364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.318364 (E_RNA) where: Base-Base interactions energy: -1081.063 where: short stacking energy: -437.963 Base-Backbone interact. energy: 2.240 local terms energy: -467.495739 where: bonds (distance) C4'-P energy: -93.738 bonds (distance) P-C4' energy: -84.293 flat angles C4'-P-C4' energy: -98.732 flat angles P-C4'-P energy: -63.918 tors. eta vs tors. theta energy: -126.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1489.829853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.829853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.829853 (E_RNA) where: Base-Base interactions energy: -1025.727 where: short stacking energy: -434.242 Base-Backbone interact. energy: -1.063 local terms energy: -463.039370 where: bonds (distance) C4'-P energy: -87.631 bonds (distance) P-C4' energy: -83.827 flat angles C4'-P-C4' energy: -95.612 flat angles P-C4'-P energy: -64.655 tors. eta vs tors. theta energy: -131.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1369.218542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.218542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.218542 (E_RNA) where: Base-Base interactions energy: -922.117 where: short stacking energy: -375.304 Base-Backbone interact. energy: -1.234 local terms energy: -445.867453 where: bonds (distance) C4'-P energy: -89.763 bonds (distance) P-C4' energy: -95.755 flat angles C4'-P-C4' energy: -85.733 flat angles P-C4'-P energy: -55.832 tors. eta vs tors. theta energy: -118.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1315.516686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.516686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.516686 (E_RNA) where: Base-Base interactions energy: -898.857 where: short stacking energy: -387.505 Base-Backbone interact. energy: -2.188 local terms energy: -414.471516 where: bonds (distance) C4'-P energy: -74.233 bonds (distance) P-C4' energy: -74.093 flat angles C4'-P-C4' energy: -87.873 flat angles P-C4'-P energy: -62.196 tors. eta vs tors. theta energy: -116.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -950.407280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.407280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.407280 (E_RNA) where: Base-Base interactions energy: -599.969 where: short stacking energy: -268.280 Base-Backbone interact. energy: 0.539 local terms energy: -350.976882 where: bonds (distance) C4'-P energy: -80.944 bonds (distance) P-C4' energy: -60.360 flat angles C4'-P-C4' energy: -87.829 flat angles P-C4'-P energy: -55.510 tors. eta vs tors. theta energy: -66.334 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: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -893.333895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.333895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.333895 (E_RNA) where: Base-Base interactions energy: -557.549 where: short stacking energy: -267.793 Base-Backbone interact. energy: -0.708 local terms energy: -335.076124 where: bonds (distance) C4'-P energy: -81.299 bonds (distance) P-C4' energy: -79.579 flat angles C4'-P-C4' energy: -67.410 flat angles P-C4'-P energy: -52.678 tors. eta vs tors. theta energy: -54.110 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: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -607.313793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.313793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.313793 (E_RNA) where: Base-Base interactions energy: -341.733 where: short stacking energy: -175.308 Base-Backbone interact. energy: 0.791 local terms energy: -266.371944 where: bonds (distance) C4'-P energy: -70.207 bonds (distance) P-C4' energy: -81.083 flat angles C4'-P-C4' energy: -75.235 flat angles P-C4'-P energy: -27.156 tors. eta vs tors. theta energy: -12.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -566.750780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.750780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.750780 (E_RNA) where: Base-Base interactions energy: -296.721 where: short stacking energy: -149.705 Base-Backbone interact. energy: -1.656 local terms energy: -268.373424 where: bonds (distance) C4'-P energy: -83.891 bonds (distance) P-C4' energy: -76.225 flat angles C4'-P-C4' energy: -63.377 flat angles P-C4'-P energy: -40.884 tors. eta vs tors. theta energy: -3.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -376.778952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.778952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.778952 (E_RNA) where: Base-Base interactions energy: -162.210 where: short stacking energy: -113.232 Base-Backbone interact. energy: 4.370 local terms energy: -218.938397 where: bonds (distance) C4'-P energy: -64.100 bonds (distance) P-C4' energy: -76.685 flat angles C4'-P-C4' energy: -60.761 flat angles P-C4'-P energy: -37.630 tors. eta vs tors. theta energy: 20.238 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: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1572.260154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.260154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.260154 (E_RNA) where: Base-Base interactions energy: -1084.489 where: short stacking energy: -444.395 Base-Backbone interact. energy: -2.084 local terms energy: -485.687390 where: bonds (distance) C4'-P energy: -85.571 bonds (distance) P-C4' energy: -88.205 flat angles C4'-P-C4' energy: -103.410 flat angles P-C4'-P energy: -72.529 tors. eta vs tors. theta energy: -135.973 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: 219 Temperature: 0.950000 Total energy: -1549.480127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.480127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.480127 (E_RNA) where: Base-Base interactions energy: -1077.496 where: short stacking energy: -423.825 Base-Backbone interact. energy: -0.912 local terms energy: -471.071623 where: bonds (distance) C4'-P energy: -79.468 bonds (distance) P-C4' energy: -87.711 flat angles C4'-P-C4' energy: -98.830 flat angles P-C4'-P energy: -78.253 tors. eta vs tors. theta energy: -126.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1471.114458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.114458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.114458 (E_RNA) where: Base-Base interactions energy: -1003.971 where: short stacking energy: -432.281 Base-Backbone interact. energy: -1.221 local terms energy: -465.922149 where: bonds (distance) C4'-P energy: -74.302 bonds (distance) P-C4' energy: -90.270 flat angles C4'-P-C4' energy: -104.289 flat angles P-C4'-P energy: -61.909 tors. eta vs tors. theta energy: -135.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1369.934710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.934710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.934710 (E_RNA) where: Base-Base interactions energy: -911.742 where: short stacking energy: -401.541 Base-Backbone interact. energy: -0.211 local terms energy: -457.981608 where: bonds (distance) C4'-P energy: -83.248 bonds (distance) P-C4' energy: -89.877 flat angles C4'-P-C4' energy: -101.918 flat angles P-C4'-P energy: -64.554 tors. eta vs tors. theta energy: -118.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1278.486219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.486219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.486219 (E_RNA) where: Base-Base interactions energy: -872.281 where: short stacking energy: -382.994 Base-Backbone interact. energy: -1.115 local terms energy: -405.090250 where: bonds (distance) C4'-P energy: -68.556 bonds (distance) P-C4' energy: -80.705 flat angles C4'-P-C4' energy: -96.057 flat angles P-C4'-P energy: -52.698 tors. eta vs tors. theta energy: -107.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -966.270686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.270686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.270686 (E_RNA) where: Base-Base interactions energy: -622.313 where: short stacking energy: -285.896 Base-Backbone interact. energy: 3.526 local terms energy: -347.483575 where: bonds (distance) C4'-P energy: -80.370 bonds (distance) P-C4' energy: -64.001 flat angles C4'-P-C4' energy: -84.834 flat angles P-C4'-P energy: -60.121 tors. eta vs tors. theta energy: -58.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -838.082352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.082352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.082352 (E_RNA) where: Base-Base interactions energy: -481.490 where: short stacking energy: -226.459 Base-Backbone interact. energy: 0.286 local terms energy: -356.878607 where: bonds (distance) C4'-P energy: -86.612 bonds (distance) P-C4' energy: -83.124 flat angles C4'-P-C4' energy: -91.512 flat angles P-C4'-P energy: -43.373 tors. eta vs tors. theta energy: -52.258 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: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -575.428000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.428000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.428000 (E_RNA) where: Base-Base interactions energy: -285.598 where: short stacking energy: -156.487 Base-Backbone interact. energy: -1.631 local terms energy: -288.198268 where: bonds (distance) C4'-P energy: -82.917 bonds (distance) P-C4' energy: -67.575 flat angles C4'-P-C4' energy: -78.352 flat angles P-C4'-P energy: -42.088 tors. eta vs tors. theta energy: -17.266 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: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -557.645588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.645588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.645588 (E_RNA) where: Base-Base interactions energy: -301.194 where: short stacking energy: -154.841 Base-Backbone interact. energy: -1.108 local terms energy: -255.343300 where: bonds (distance) C4'-P energy: -78.360 bonds (distance) P-C4' energy: -74.040 flat angles C4'-P-C4' energy: -54.813 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: -5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -411.501438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.501438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.501438 (E_RNA) where: Base-Base interactions energy: -153.005 where: short stacking energy: -98.690 Base-Backbone interact. energy: -0.153 local terms energy: -258.343899 where: bonds (distance) C4'-P energy: -73.966 bonds (distance) P-C4' energy: -84.056 flat angles C4'-P-C4' energy: -68.513 flat angles P-C4'-P energy: -46.514 tors. eta vs tors. theta energy: 14.705 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: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1588.382858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.382858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.382858 (E_RNA) where: Base-Base interactions energy: -1105.057 where: short stacking energy: -437.786 Base-Backbone interact. energy: 0.562 local terms energy: -483.887446 where: bonds (distance) C4'-P energy: -88.240 bonds (distance) P-C4' energy: -86.726 flat angles C4'-P-C4' energy: -102.233 flat angles P-C4'-P energy: -83.784 tors. eta vs tors. theta energy: -122.904 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: 4 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1516.840276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.840276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.840276 (E_RNA) where: Base-Base interactions energy: -1027.236 where: short stacking energy: -418.182 Base-Backbone interact. energy: 1.621 local terms energy: -491.224938 where: bonds (distance) C4'-P energy: -90.714 bonds (distance) P-C4' energy: -98.967 flat angles C4'-P-C4' energy: -101.868 flat angles P-C4'-P energy: -71.906 tors. eta vs tors. theta energy: -127.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1485.197996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.197996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.197996 (E_RNA) where: Base-Base interactions energy: -991.004 where: short stacking energy: -410.674 Base-Backbone interact. energy: 0.527 local terms energy: -494.720274 where: bonds (distance) C4'-P energy: -93.369 bonds (distance) P-C4' energy: -96.227 flat angles C4'-P-C4' energy: -99.382 flat angles P-C4'-P energy: -70.221 tors. eta vs tors. theta energy: -135.521 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: 3 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1365.219432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.219432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.219432 (E_RNA) where: Base-Base interactions energy: -936.375 where: short stacking energy: -411.158 Base-Backbone interact. energy: -0.781 local terms energy: -428.063520 where: bonds (distance) C4'-P energy: -81.258 bonds (distance) P-C4' energy: -73.637 flat angles C4'-P-C4' energy: -85.752 flat angles P-C4'-P energy: -59.923 tors. eta vs tors. theta energy: -127.494 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: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1290.683906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.683906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.683906 (E_RNA) where: Base-Base interactions energy: -856.947 where: short stacking energy: -357.379 Base-Backbone interact. energy: 0.370 local terms energy: -434.106289 where: bonds (distance) C4'-P energy: -88.330 bonds (distance) P-C4' energy: -87.929 flat angles C4'-P-C4' energy: -80.949 flat angles P-C4'-P energy: -63.160 tors. eta vs tors. theta energy: -113.738 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: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -988.913325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.913325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.913325 (E_RNA) where: Base-Base interactions energy: -632.290 where: short stacking energy: -272.970 Base-Backbone interact. energy: -1.468 local terms energy: -355.154825 where: bonds (distance) C4'-P energy: -68.430 bonds (distance) P-C4' energy: -67.995 flat angles C4'-P-C4' energy: -97.779 flat angles P-C4'-P energy: -56.798 tors. eta vs tors. theta energy: -64.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -839.233314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.233314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.233314 (E_RNA) where: Base-Base interactions energy: -516.594 where: short stacking energy: -257.907 Base-Backbone interact. energy: -0.799 local terms energy: -321.839510 where: bonds (distance) C4'-P energy: -69.649 bonds (distance) P-C4' energy: -73.247 flat angles C4'-P-C4' energy: -87.635 flat angles P-C4'-P energy: -36.925 tors. eta vs tors. theta energy: -54.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -550.018896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.018896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.018896 (E_RNA) where: Base-Base interactions energy: -272.258 where: short stacking energy: -168.627 Base-Backbone interact. energy: -4.337 local terms energy: -273.423717 where: bonds (distance) C4'-P energy: -65.919 bonds (distance) P-C4' energy: -90.108 flat angles C4'-P-C4' energy: -71.209 flat angles P-C4'-P energy: -31.274 tors. eta vs tors. theta energy: -14.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -562.688506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.688506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.688506 (E_RNA) where: Base-Base interactions energy: -274.084 where: short stacking energy: -162.141 Base-Backbone interact. energy: 0.649 local terms energy: -289.253022 where: bonds (distance) C4'-P energy: -72.566 bonds (distance) P-C4' energy: -79.568 flat angles C4'-P-C4' energy: -69.780 flat angles P-C4'-P energy: -44.068 tors. eta vs tors. theta energy: -23.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -340.567381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.567381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.567381 (E_RNA) where: Base-Base interactions energy: -116.847 where: short stacking energy: -106.484 Base-Backbone interact. energy: 0.148 local terms energy: -223.869059 where: bonds (distance) C4'-P energy: -76.651 bonds (distance) P-C4' energy: -74.755 flat angles C4'-P-C4' energy: -47.592 flat angles P-C4'-P energy: -35.891 tors. eta vs tors. theta energy: 11.021 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: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1574.822048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.822048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.822048 (E_RNA) where: Base-Base interactions energy: -1084.810 where: short stacking energy: -451.714 Base-Backbone interact. energy: -1.400 local terms energy: -488.612135 where: bonds (distance) C4'-P energy: -95.243 bonds (distance) P-C4' energy: -100.270 flat angles C4'-P-C4' energy: -103.422 flat angles P-C4'-P energy: -64.354 tors. eta vs tors. theta energy: -125.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1504.555515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.555515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.555515 (E_RNA) where: Base-Base interactions energy: -1023.676 where: short stacking energy: -421.254 Base-Backbone interact. energy: -1.470 local terms energy: -479.409244 where: bonds (distance) C4'-P energy: -86.736 bonds (distance) P-C4' energy: -90.320 flat angles C4'-P-C4' energy: -94.108 flat angles P-C4'-P energy: -79.144 tors. eta vs tors. theta energy: -129.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1475.914070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.914070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.914070 (E_RNA) where: Base-Base interactions energy: -999.114 where: short stacking energy: -408.889 Base-Backbone interact. energy: -3.251 local terms energy: -473.549222 where: bonds (distance) C4'-P energy: -79.296 bonds (distance) P-C4' energy: -86.178 flat angles C4'-P-C4' energy: -107.345 flat angles P-C4'-P energy: -66.871 tors. eta vs tors. theta energy: -133.860 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: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1382.326829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.326829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.326829 (E_RNA) where: Base-Base interactions energy: -933.336 where: short stacking energy: -405.547 Base-Backbone interact. energy: -2.260 local terms energy: -446.730660 where: bonds (distance) C4'-P energy: -82.121 bonds (distance) P-C4' energy: -86.615 flat angles C4'-P-C4' energy: -91.495 flat angles P-C4'-P energy: -62.987 tors. eta vs tors. theta energy: -123.514 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: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1281.848655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.848655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.848655 (E_RNA) where: Base-Base interactions energy: -852.839 where: short stacking energy: -389.101 Base-Backbone interact. energy: 0.258 local terms energy: -429.268165 where: bonds (distance) C4'-P energy: -88.237 bonds (distance) P-C4' energy: -74.385 flat angles C4'-P-C4' energy: -94.855 flat angles P-C4'-P energy: -63.940 tors. eta vs tors. theta energy: -107.851 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: 1 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -932.376623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.376623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.376623 (E_RNA) where: Base-Base interactions energy: -587.235 where: short stacking energy: -281.459 Base-Backbone interact. energy: -0.754 local terms energy: -344.387856 where: bonds (distance) C4'-P energy: -73.211 bonds (distance) P-C4' energy: -78.514 flat angles C4'-P-C4' energy: -82.031 flat angles P-C4'-P energy: -43.328 tors. eta vs tors. theta energy: -67.303 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: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -858.685150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.685150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.685150 (E_RNA) where: Base-Base interactions energy: -521.898 where: short stacking energy: -246.609 Base-Backbone interact. energy: -1.087 local terms energy: -335.699788 where: bonds (distance) C4'-P energy: -74.566 bonds (distance) P-C4' energy: -81.609 flat angles C4'-P-C4' energy: -66.499 flat angles P-C4'-P energy: -57.120 tors. eta vs tors. theta energy: -55.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -648.330822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.330822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.330822 (E_RNA) where: Base-Base interactions energy: -329.169 where: short stacking energy: -180.111 Base-Backbone interact. energy: -3.023 local terms energy: -316.139659 where: bonds (distance) C4'-P energy: -86.523 bonds (distance) P-C4' energy: -86.211 flat angles C4'-P-C4' energy: -73.153 flat angles P-C4'-P energy: -54.428 tors. eta vs tors. theta energy: -15.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -545.476619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.476619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.476619 (E_RNA) where: Base-Base interactions energy: -285.500 where: short stacking energy: -150.975 Base-Backbone interact. energy: 1.899 local terms energy: -261.875640 where: bonds (distance) C4'-P energy: -81.725 bonds (distance) P-C4' energy: -80.652 flat angles C4'-P-C4' energy: -61.496 flat angles P-C4'-P energy: -48.847 tors. eta vs tors. theta energy: 10.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -413.613372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.613372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.613372 (E_RNA) where: Base-Base interactions energy: -175.956 where: short stacking energy: -128.223 Base-Backbone interact. energy: -2.747 local terms energy: -234.910286 where: bonds (distance) C4'-P energy: -76.410 bonds (distance) P-C4' energy: -92.016 flat angles C4'-P-C4' energy: -57.955 flat angles P-C4'-P energy: -22.968 tors. eta vs tors. theta energy: 14.438 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: 1, replica: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1581.814867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.814867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.814867 (E_RNA) where: Base-Base interactions energy: -1092.156 where: short stacking energy: -436.181 Base-Backbone interact. energy: -0.611 local terms energy: -489.046983 where: bonds (distance) C4'-P energy: -96.772 bonds (distance) P-C4' energy: -91.094 flat angles C4'-P-C4' energy: -108.144 flat angles P-C4'-P energy: -64.323 tors. eta vs tors. theta energy: -128.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1513.986861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.986861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.986861 (E_RNA) where: Base-Base interactions energy: -1035.702 where: short stacking energy: -413.355 Base-Backbone interact. energy: -2.236 local terms energy: -476.049563 where: bonds (distance) C4'-P energy: -91.766 bonds (distance) P-C4' energy: -89.992 flat angles C4'-P-C4' energy: -93.308 flat angles P-C4'-P energy: -70.339 tors. eta vs tors. theta energy: -130.644 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: 2 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1475.964891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.964891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.964891 (E_RNA) where: Base-Base interactions energy: -1014.985 where: short stacking energy: -417.339 Base-Backbone interact. energy: -1.545 local terms energy: -459.435403 where: bonds (distance) C4'-P energy: -76.341 bonds (distance) P-C4' energy: -95.278 flat angles C4'-P-C4' energy: -102.610 flat angles P-C4'-P energy: -62.846 tors. eta vs tors. theta energy: -122.361 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: 222 Temperature: 1.050000 Total energy: -1389.925482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.925482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.925482 (E_RNA) where: Base-Base interactions energy: -937.755 where: short stacking energy: -411.067 Base-Backbone interact. energy: 1.916 local terms energy: -454.086349 where: bonds (distance) C4'-P energy: -83.206 bonds (distance) P-C4' energy: -82.516 flat angles C4'-P-C4' energy: -100.849 flat angles P-C4'-P energy: -54.268 tors. eta vs tors. theta energy: -133.247 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: 5 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1287.808042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.808042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.808042 (E_RNA) where: Base-Base interactions energy: -835.940 where: short stacking energy: -362.542 Base-Backbone interact. energy: -2.702 local terms energy: -449.165934 where: bonds (distance) C4'-P energy: -87.239 bonds (distance) P-C4' energy: -97.165 flat angles C4'-P-C4' energy: -96.823 flat angles P-C4'-P energy: -59.400 tors. eta vs tors. theta energy: -108.540 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: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1014.958244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.958244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.958244 (E_RNA) where: Base-Base interactions energy: -625.834 where: short stacking energy: -285.541 Base-Backbone interact. energy: -2.869 local terms energy: -386.254746 where: bonds (distance) C4'-P energy: -85.768 bonds (distance) P-C4' energy: -85.776 flat angles C4'-P-C4' energy: -98.572 flat angles P-C4'-P energy: -35.407 tors. eta vs tors. theta energy: -80.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -854.075800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.075800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.075800 (E_RNA) where: Base-Base interactions energy: -509.003 where: short stacking energy: -245.115 Base-Backbone interact. energy: -0.961 local terms energy: -344.111151 where: bonds (distance) C4'-P energy: -89.989 bonds (distance) P-C4' energy: -81.376 flat angles C4'-P-C4' energy: -76.431 flat angles P-C4'-P energy: -43.868 tors. eta vs tors. theta energy: -52.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -607.314110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.314110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.314110 (E_RNA) where: Base-Base interactions energy: -308.313 where: short stacking energy: -186.045 Base-Backbone interact. energy: 0.525 local terms energy: -299.525823 where: bonds (distance) C4'-P energy: -67.906 bonds (distance) P-C4' energy: -86.559 flat angles C4'-P-C4' energy: -69.830 flat angles P-C4'-P energy: -39.435 tors. eta vs tors. theta energy: -35.796 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: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -526.371400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.371400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.371400 (E_RNA) where: Base-Base interactions energy: -260.075 where: short stacking energy: -150.226 Base-Backbone interact. energy: 3.990 local terms energy: -270.286410 where: bonds (distance) C4'-P energy: -77.837 bonds (distance) P-C4' energy: -82.884 flat angles C4'-P-C4' energy: -59.563 flat angles P-C4'-P energy: -51.347 tors. eta vs tors. theta energy: 1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -365.094217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.094217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.094217 (E_RNA) where: Base-Base interactions energy: -117.816 where: short stacking energy: -101.578 Base-Backbone interact. energy: -1.405 local terms energy: -245.873266 where: bonds (distance) C4'-P energy: -70.561 bonds (distance) P-C4' energy: -84.837 flat angles C4'-P-C4' energy: -73.366 flat angles P-C4'-P energy: -28.349 tors. eta vs tors. theta energy: 11.240 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: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1575.532584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.532584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.532584 (E_RNA) where: Base-Base interactions energy: -1079.629 where: short stacking energy: -445.839 Base-Backbone interact. energy: -0.993 local terms energy: -494.911413 where: bonds (distance) C4'-P energy: -93.604 bonds (distance) P-C4' energy: -95.198 flat angles C4'-P-C4' energy: -110.241 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -125.610 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: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1519.354783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.354783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.354783 (E_RNA) where: Base-Base interactions energy: -1040.887 where: short stacking energy: -425.362 Base-Backbone interact. energy: -0.182 local terms energy: -478.285673 where: bonds (distance) C4'-P energy: -88.017 bonds (distance) P-C4' energy: -92.515 flat angles C4'-P-C4' energy: -97.222 flat angles P-C4'-P energy: -62.604 tors. eta vs tors. theta energy: -137.928 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: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1457.186521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.186521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.186521 (E_RNA) where: Base-Base interactions energy: -1011.316 where: short stacking energy: -415.485 Base-Backbone interact. energy: -0.660 local terms energy: -445.210880 where: bonds (distance) C4'-P energy: -82.925 bonds (distance) P-C4' energy: -78.151 flat angles C4'-P-C4' energy: -94.473 flat angles P-C4'-P energy: -71.230 tors. eta vs tors. theta energy: -118.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1389.112933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.112933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.112933 (E_RNA) where: Base-Base interactions energy: -935.931 where: short stacking energy: -405.626 Base-Backbone interact. energy: -2.931 local terms energy: -450.251196 where: bonds (distance) C4'-P energy: -89.989 bonds (distance) P-C4' energy: -88.730 flat angles C4'-P-C4' energy: -103.097 flat angles P-C4'-P energy: -56.728 tors. eta vs tors. theta energy: -111.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1271.450718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.450718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.450718 (E_RNA) where: Base-Base interactions energy: -835.256 where: short stacking energy: -352.385 Base-Backbone interact. energy: -2.405 local terms energy: -433.790056 where: bonds (distance) C4'-P energy: -83.055 bonds (distance) P-C4' energy: -92.965 flat angles C4'-P-C4' energy: -92.349 flat angles P-C4'-P energy: -64.083 tors. eta vs tors. theta energy: -101.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1055.538102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.538102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.538102 (E_RNA) where: Base-Base interactions energy: -651.914 where: short stacking energy: -313.732 Base-Backbone interact. energy: -2.267 local terms energy: -401.357500 where: bonds (distance) C4'-P energy: -90.521 bonds (distance) P-C4' energy: -84.448 flat angles C4'-P-C4' energy: -86.297 flat angles P-C4'-P energy: -60.532 tors. eta vs tors. theta energy: -79.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -846.165136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.165136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.165136 (E_RNA) where: Base-Base interactions energy: -508.442 where: short stacking energy: -234.553 Base-Backbone interact. energy: -1.798 local terms energy: -335.924477 where: bonds (distance) C4'-P energy: -93.278 bonds (distance) P-C4' energy: -74.966 flat angles C4'-P-C4' energy: -66.967 flat angles P-C4'-P energy: -39.900 tors. eta vs tors. theta energy: -60.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -623.629233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.629233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.629233 (E_RNA) where: Base-Base interactions energy: -325.240 where: short stacking energy: -174.898 Base-Backbone interact. energy: -1.125 local terms energy: -297.265046 where: bonds (distance) C4'-P energy: -72.928 bonds (distance) P-C4' energy: -89.384 flat angles C4'-P-C4' energy: -60.720 flat angles P-C4'-P energy: -49.234 tors. eta vs tors. theta energy: -24.999 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: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -550.051222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.051222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.051222 (E_RNA) where: Base-Base interactions energy: -273.942 where: short stacking energy: -131.235 Base-Backbone interact. energy: -1.241 local terms energy: -274.868434 where: bonds (distance) C4'-P energy: -77.794 bonds (distance) P-C4' energy: -79.680 flat angles C4'-P-C4' energy: -72.797 flat angles P-C4'-P energy: -40.229 tors. eta vs tors. theta energy: -4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -356.031359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.031359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.031359 (E_RNA) where: Base-Base interactions energy: -132.408 where: short stacking energy: -94.537 Base-Backbone interact. energy: 2.140 local terms energy: -225.763024 where: bonds (distance) C4'-P energy: -68.653 bonds (distance) P-C4' energy: -85.305 flat angles C4'-P-C4' energy: -60.614 flat angles P-C4'-P energy: -27.277 tors. eta vs tors. theta energy: 16.085 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: 224 Temperature: 0.900000 Total energy: -1574.456426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.456426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.456426 (E_RNA) where: Base-Base interactions energy: -1087.745 where: short stacking energy: -446.308 Base-Backbone interact. energy: -3.260 local terms energy: -483.452153 where: bonds (distance) C4'-P energy: -87.476 bonds (distance) P-C4' energy: -95.177 flat angles C4'-P-C4' energy: -104.035 flat angles P-C4'-P energy: -69.963 tors. eta vs tors. theta energy: -126.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1505.221907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.221907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.221907 (E_RNA) where: Base-Base interactions energy: -1035.103 where: short stacking energy: -431.670 Base-Backbone interact. energy: -2.465 local terms energy: -467.653717 where: bonds (distance) C4'-P energy: -81.039 bonds (distance) P-C4' energy: -84.225 flat angles C4'-P-C4' energy: -99.490 flat angles P-C4'-P energy: -61.818 tors. eta vs tors. theta energy: -141.082 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: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1458.840416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.840416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.840416 (E_RNA) where: Base-Base interactions energy: -992.312 where: short stacking energy: -409.159 Base-Backbone interact. energy: -0.579 local terms energy: -465.949879 where: bonds (distance) C4'-P energy: -79.636 bonds (distance) P-C4' energy: -96.841 flat angles C4'-P-C4' energy: -97.917 flat angles P-C4'-P energy: -66.751 tors. eta vs tors. theta energy: -124.805 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: 224 Temperature: 1.050000 Total energy: -1377.954342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.954342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.954342 (E_RNA) where: Base-Base interactions energy: -920.614 where: short stacking energy: -395.162 Base-Backbone interact. energy: -0.488 local terms energy: -456.852835 where: bonds (distance) C4'-P energy: -98.550 bonds (distance) P-C4' energy: -74.661 flat angles C4'-P-C4' energy: -100.305 flat angles P-C4'-P energy: -68.800 tors. eta vs tors. theta energy: -114.536 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: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1260.848348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.848348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.848348 (E_RNA) where: Base-Base interactions energy: -818.028 where: short stacking energy: -353.305 Base-Backbone interact. energy: -1.734 local terms energy: -441.086238 where: bonds (distance) C4'-P energy: -84.701 bonds (distance) P-C4' energy: -91.279 flat angles C4'-P-C4' energy: -91.095 flat angles P-C4'-P energy: -60.370 tors. eta vs tors. theta energy: -113.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1018.333856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.333856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.333856 (E_RNA) where: Base-Base interactions energy: -641.905 where: short stacking energy: -297.158 Base-Backbone interact. energy: -0.779 local terms energy: -375.650460 where: bonds (distance) C4'-P energy: -79.703 bonds (distance) P-C4' energy: -86.681 flat angles C4'-P-C4' energy: -85.883 flat angles P-C4'-P energy: -51.024 tors. eta vs tors. theta energy: -72.359 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: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -858.043870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.043870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.043870 (E_RNA) where: Base-Base interactions energy: -510.741 where: short stacking energy: -257.913 Base-Backbone interact. energy: -1.627 local terms energy: -345.675667 where: bonds (distance) C4'-P energy: -79.700 bonds (distance) P-C4' energy: -84.040 flat angles C4'-P-C4' energy: -73.270 flat angles P-C4'-P energy: -61.963 tors. eta vs tors. theta energy: -46.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -566.401367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.401367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.401367 (E_RNA) where: Base-Base interactions energy: -276.137 where: short stacking energy: -157.779 Base-Backbone interact. energy: 1.775 local terms energy: -292.039798 where: bonds (distance) C4'-P energy: -81.442 bonds (distance) P-C4' energy: -88.262 flat angles C4'-P-C4' energy: -77.806 flat angles P-C4'-P energy: -37.015 tors. eta vs tors. theta energy: -7.515 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: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -550.023532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.023532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.023532 (E_RNA) where: Base-Base interactions energy: -272.249 where: short stacking energy: -148.159 Base-Backbone interact. energy: -0.372 local terms energy: -277.402286 where: bonds (distance) C4'-P energy: -89.704 bonds (distance) P-C4' energy: -79.541 flat angles C4'-P-C4' energy: -63.852 flat angles P-C4'-P energy: -35.517 tors. eta vs tors. theta energy: -8.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -401.233181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.233181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.233181 (E_RNA) where: Base-Base interactions energy: -152.294 where: short stacking energy: -116.337 Base-Backbone interact. energy: -0.825 local terms energy: -248.114714 where: bonds (distance) C4'-P energy: -84.739 bonds (distance) P-C4' energy: -62.522 flat angles C4'-P-C4' energy: -62.019 flat angles P-C4'-P energy: -52.222 tors. eta vs tors. theta energy: 13.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1589.877678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.877678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.877678 (E_RNA) where: Base-Base interactions energy: -1114.365 where: short stacking energy: -448.696 Base-Backbone interact. energy: -0.970 local terms energy: -474.542985 where: bonds (distance) C4'-P energy: -87.188 bonds (distance) P-C4' energy: -93.734 flat angles C4'-P-C4' energy: -100.572 flat angles P-C4'-P energy: -60.859 tors. eta vs tors. theta energy: -132.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1511.397385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.397385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.397385 (E_RNA) where: Base-Base interactions energy: -1025.758 where: short stacking energy: -443.731 Base-Backbone interact. energy: -1.483 local terms energy: -484.156091 where: bonds (distance) C4'-P energy: -85.508 bonds (distance) P-C4' energy: -99.064 flat angles C4'-P-C4' energy: -99.009 flat angles P-C4'-P energy: -69.341 tors. eta vs tors. theta energy: -131.236 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: 3, replica: 4 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1451.457379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.457379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.457379 (E_RNA) where: Base-Base interactions energy: -989.860 where: short stacking energy: -406.789 Base-Backbone interact. energy: -0.839 local terms energy: -460.757649 where: bonds (distance) C4'-P energy: -81.934 bonds (distance) P-C4' energy: -89.018 flat angles C4'-P-C4' energy: -106.460 flat angles P-C4'-P energy: -61.166 tors. eta vs tors. theta energy: -122.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1390.113554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.113554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.113554 (E_RNA) where: Base-Base interactions energy: -954.097 where: short stacking energy: -389.837 Base-Backbone interact. energy: -1.212 local terms energy: -434.805114 where: bonds (distance) C4'-P energy: -77.111 bonds (distance) P-C4' energy: -79.828 flat angles C4'-P-C4' energy: -96.314 flat angles P-C4'-P energy: -59.693 tors. eta vs tors. theta energy: -121.860 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: 5 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1257.780152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.780152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.780152 (E_RNA) where: Base-Base interactions energy: -831.904 where: short stacking energy: -360.707 Base-Backbone interact. energy: -3.505 local terms energy: -422.371064 where: bonds (distance) C4'-P energy: -84.480 bonds (distance) P-C4' energy: -86.626 flat angles C4'-P-C4' energy: -90.985 flat angles P-C4'-P energy: -56.347 tors. eta vs tors. theta energy: -103.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1064.219595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.219595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.219595 (E_RNA) where: Base-Base interactions energy: -684.335 where: short stacking energy: -321.673 Base-Backbone interact. energy: 0.039 local terms energy: -379.923517 where: bonds (distance) C4'-P energy: -66.233 bonds (distance) P-C4' energy: -93.474 flat angles C4'-P-C4' energy: -86.808 flat angles P-C4'-P energy: -58.340 tors. eta vs tors. theta energy: -75.068 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: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -880.357199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.357199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.357199 (E_RNA) where: Base-Base interactions energy: -552.098 where: short stacking energy: -270.962 Base-Backbone interact. energy: 1.719 local terms energy: -329.978113 where: bonds (distance) C4'-P energy: -79.927 bonds (distance) P-C4' energy: -78.845 flat angles C4'-P-C4' energy: -76.455 flat angles P-C4'-P energy: -40.281 tors. eta vs tors. theta energy: -54.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -620.870634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.870634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.870634 (E_RNA) where: Base-Base interactions energy: -347.082 where: short stacking energy: -180.901 Base-Backbone interact. energy: 0.985 local terms energy: -274.773505 where: bonds (distance) C4'-P energy: -74.132 bonds (distance) P-C4' energy: -76.358 flat angles C4'-P-C4' energy: -72.408 flat angles P-C4'-P energy: -36.172 tors. eta vs tors. theta energy: -15.703 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: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -536.891992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.891992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.891992 (E_RNA) where: Base-Base interactions energy: -285.224 where: short stacking energy: -124.328 Base-Backbone interact. energy: 0.409 local terms energy: -252.077238 where: bonds (distance) C4'-P energy: -71.046 bonds (distance) P-C4' energy: -73.487 flat angles C4'-P-C4' energy: -67.863 flat angles P-C4'-P energy: -37.351 tors. eta vs tors. theta energy: -2.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -361.842316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.842316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.842316 (E_RNA) where: Base-Base interactions energy: -113.137 where: short stacking energy: -110.072 Base-Backbone interact. energy: 2.733 local terms energy: -251.437593 where: bonds (distance) C4'-P energy: -83.245 bonds (distance) P-C4' energy: -84.532 flat angles C4'-P-C4' energy: -69.584 flat angles P-C4'-P energy: -22.557 tors. eta vs tors. theta energy: 8.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1571.772731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.772731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.772731 (E_RNA) where: Base-Base interactions energy: -1065.316 where: short stacking energy: -434.867 Base-Backbone interact. energy: -3.193 local terms energy: -503.264606 where: bonds (distance) C4'-P energy: -99.424 bonds (distance) P-C4' energy: -101.639 flat angles C4'-P-C4' energy: -103.726 flat angles P-C4'-P energy: -70.553 tors. eta vs tors. theta energy: -127.922 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: 226 Temperature: 0.950000 Total energy: -1522.145077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.145077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.145077 (E_RNA) where: Base-Base interactions energy: -1054.843 where: short stacking energy: -432.921 Base-Backbone interact. energy: -0.828 local terms energy: -466.473978 where: bonds (distance) C4'-P energy: -82.828 bonds (distance) P-C4' energy: -90.283 flat angles C4'-P-C4' energy: -95.332 flat angles P-C4'-P energy: -64.823 tors. eta vs tors. theta energy: -133.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1469.137436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.137436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.137436 (E_RNA) where: Base-Base interactions energy: -1004.327 where: short stacking energy: -416.014 Base-Backbone interact. energy: -1.730 local terms energy: -463.080590 where: bonds (distance) C4'-P energy: -81.097 bonds (distance) P-C4' energy: -92.164 flat angles C4'-P-C4' energy: -106.791 flat angles P-C4'-P energy: -63.090 tors. eta vs tors. theta energy: -119.938 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: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1391.759008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.759008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.759008 (E_RNA) where: Base-Base interactions energy: -940.182 where: short stacking energy: -390.653 Base-Backbone interact. energy: -1.918 local terms energy: -449.658825 where: bonds (distance) C4'-P energy: -77.777 bonds (distance) P-C4' energy: -84.241 flat angles C4'-P-C4' energy: -91.443 flat angles P-C4'-P energy: -72.371 tors. eta vs tors. theta energy: -123.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1275.765398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.765398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.765398 (E_RNA) where: Base-Base interactions energy: -847.265 where: short stacking energy: -366.995 Base-Backbone interact. energy: 0.437 local terms energy: -428.937411 where: bonds (distance) C4'-P energy: -76.406 bonds (distance) P-C4' energy: -84.965 flat angles C4'-P-C4' energy: -87.285 flat angles P-C4'-P energy: -68.507 tors. eta vs tors. theta energy: -111.775 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: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1090.795093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.795093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.795093 (E_RNA) where: Base-Base interactions energy: -689.278 where: short stacking energy: -316.127 Base-Backbone interact. energy: -1.261 local terms energy: -400.255803 where: bonds (distance) C4'-P energy: -71.199 bonds (distance) P-C4' energy: -86.742 flat angles C4'-P-C4' energy: -97.407 flat angles P-C4'-P energy: -58.054 tors. eta vs tors. theta energy: -86.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -845.624786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.624786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.624786 (E_RNA) where: Base-Base interactions energy: -504.358 where: short stacking energy: -250.508 Base-Backbone interact. energy: 0.253 local terms energy: -341.519449 where: bonds (distance) C4'-P energy: -69.230 bonds (distance) P-C4' energy: -97.464 flat angles C4'-P-C4' energy: -94.697 flat angles P-C4'-P energy: -35.255 tors. eta vs tors. theta energy: -44.873 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: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -616.098718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.098718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.098718 (E_RNA) where: Base-Base interactions energy: -325.107 where: short stacking energy: -184.885 Base-Backbone interact. energy: -1.171 local terms energy: -289.820896 where: bonds (distance) C4'-P energy: -74.183 bonds (distance) P-C4' energy: -84.758 flat angles C4'-P-C4' energy: -73.909 flat angles P-C4'-P energy: -39.862 tors. eta vs tors. theta energy: -17.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -594.156161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.156161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.156161 (E_RNA) where: Base-Base interactions energy: -314.823 where: short stacking energy: -149.420 Base-Backbone interact. energy: 3.241 local terms energy: -282.573449 where: bonds (distance) C4'-P energy: -77.548 bonds (distance) P-C4' energy: -74.809 flat angles C4'-P-C4' energy: -69.406 flat angles P-C4'-P energy: -52.879 tors. eta vs tors. theta energy: -7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -392.215547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.215547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.215547 (E_RNA) where: Base-Base interactions energy: -128.981 where: short stacking energy: -100.549 Base-Backbone interact. energy: -2.401 local terms energy: -260.833719 where: bonds (distance) C4'-P energy: -76.224 bonds (distance) P-C4' energy: -75.127 flat angles C4'-P-C4' energy: -69.985 flat angles P-C4'-P energy: -43.678 tors. eta vs tors. theta energy: 4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1595.739206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.739206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.739206 (E_RNA) where: Base-Base interactions energy: -1125.085 where: short stacking energy: -437.822 Base-Backbone interact. energy: 0.186 local terms energy: -470.840370 where: bonds (distance) C4'-P energy: -87.317 bonds (distance) P-C4' energy: -88.029 flat angles C4'-P-C4' energy: -101.745 flat angles P-C4'-P energy: -69.849 tors. eta vs tors. theta energy: -123.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1528.616858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.616858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.616858 (E_RNA) where: Base-Base interactions energy: -1027.219 where: short stacking energy: -444.370 Base-Backbone interact. energy: 0.002 local terms energy: -501.400314 where: bonds (distance) C4'-P energy: -91.246 bonds (distance) P-C4' energy: -102.712 flat angles C4'-P-C4' energy: -105.094 flat angles P-C4'-P energy: -68.066 tors. eta vs tors. theta energy: -134.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1502.179870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.179870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.179870 (E_RNA) where: Base-Base interactions energy: -1038.982 where: short stacking energy: -426.073 Base-Backbone interact. energy: 0.622 local terms energy: -463.819710 where: bonds (distance) C4'-P energy: -83.377 bonds (distance) P-C4' energy: -89.813 flat angles C4'-P-C4' energy: -95.518 flat angles P-C4'-P energy: -74.260 tors. eta vs tors. theta energy: -120.852 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: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1361.193397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.193397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.193397 (E_RNA) where: Base-Base interactions energy: -902.694 where: short stacking energy: -406.013 Base-Backbone interact. energy: -1.941 local terms energy: -456.557968 where: bonds (distance) C4'-P energy: -86.322 bonds (distance) P-C4' energy: -82.798 flat angles C4'-P-C4' energy: -101.507 flat angles P-C4'-P energy: -68.523 tors. eta vs tors. theta energy: -117.408 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: 5 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1278.169870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.169870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.169870 (E_RNA) where: Base-Base interactions energy: -846.683 where: short stacking energy: -364.521 Base-Backbone interact. energy: -2.123 local terms energy: -429.364025 where: bonds (distance) C4'-P energy: -76.041 bonds (distance) P-C4' energy: -89.737 flat angles C4'-P-C4' energy: -96.060 flat angles P-C4'-P energy: -67.476 tors. eta vs tors. theta energy: -100.050 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: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1142.550891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.550891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.550891 (E_RNA) where: Base-Base interactions energy: -738.272 where: short stacking energy: -340.858 Base-Backbone interact. energy: -2.636 local terms energy: -401.642791 where: bonds (distance) C4'-P energy: -80.037 bonds (distance) P-C4' energy: -73.523 flat angles C4'-P-C4' energy: -93.011 flat angles P-C4'-P energy: -62.769 tors. eta vs tors. theta energy: -92.303 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: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -834.423256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.423256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.423256 (E_RNA) where: Base-Base interactions energy: -511.859 where: short stacking energy: -257.086 Base-Backbone interact. energy: -0.280 local terms energy: -322.284510 where: bonds (distance) C4'-P energy: -70.618 bonds (distance) P-C4' energy: -68.661 flat angles C4'-P-C4' energy: -84.363 flat angles P-C4'-P energy: -47.509 tors. eta vs tors. theta energy: -51.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -614.740570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.740570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.740570 (E_RNA) where: Base-Base interactions energy: -327.653 where: short stacking energy: -180.365 Base-Backbone interact. energy: -1.504 local terms energy: -285.583526 where: bonds (distance) C4'-P energy: -72.625 bonds (distance) P-C4' energy: -87.268 flat angles C4'-P-C4' energy: -68.191 flat angles P-C4'-P energy: -43.420 tors. eta vs tors. theta energy: -14.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -594.692652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.692652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.692652 (E_RNA) where: Base-Base interactions energy: -318.577 where: short stacking energy: -165.388 Base-Backbone interact. energy: -1.890 local terms energy: -274.225478 where: bonds (distance) C4'-P energy: -82.514 bonds (distance) P-C4' energy: -72.300 flat angles C4'-P-C4' energy: -77.593 flat angles P-C4'-P energy: -26.298 tors. eta vs tors. theta energy: -15.521 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: 9 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -372.199613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.199613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.199613 (E_RNA) where: Base-Base interactions energy: -136.828 where: short stacking energy: -113.689 Base-Backbone interact. energy: 0.850 local terms energy: -236.221677 where: bonds (distance) C4'-P energy: -66.605 bonds (distance) P-C4' energy: -79.094 flat angles C4'-P-C4' energy: -72.773 flat angles P-C4'-P energy: -33.055 tors. eta vs tors. theta energy: 15.307 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: 228 Temperature: 0.900000 Total energy: -1555.741648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.741648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.741648 (E_RNA) where: Base-Base interactions energy: -1076.448 where: short stacking energy: -439.754 Base-Backbone interact. energy: -3.468 local terms energy: -475.825553 where: bonds (distance) C4'-P energy: -90.513 bonds (distance) P-C4' energy: -91.802 flat angles C4'-P-C4' energy: -95.614 flat angles P-C4'-P energy: -65.725 tors. eta vs tors. theta energy: -132.172 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: 2 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1515.471458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.471458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.471458 (E_RNA) where: Base-Base interactions energy: -1040.477 where: short stacking energy: -445.347 Base-Backbone interact. energy: -1.839 local terms energy: -473.154713 where: bonds (distance) C4'-P energy: -87.417 bonds (distance) P-C4' energy: -90.406 flat angles C4'-P-C4' energy: -102.956 flat angles P-C4'-P energy: -59.213 tors. eta vs tors. theta energy: -133.163 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: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1466.598735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.598735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.598735 (E_RNA) where: Base-Base interactions energy: -999.566 where: short stacking energy: -417.556 Base-Backbone interact. energy: -2.210 local terms energy: -464.822337 where: bonds (distance) C4'-P energy: -86.738 bonds (distance) P-C4' energy: -90.971 flat angles C4'-P-C4' energy: -103.347 flat angles P-C4'-P energy: -56.327 tors. eta vs tors. theta energy: -127.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1381.654633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.654633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.654633 (E_RNA) where: Base-Base interactions energy: -911.506 where: short stacking energy: -422.411 Base-Backbone interact. energy: -0.912 local terms energy: -469.236612 where: bonds (distance) C4'-P energy: -82.774 bonds (distance) P-C4' energy: -94.653 flat angles C4'-P-C4' energy: -104.352 flat angles P-C4'-P energy: -55.937 tors. eta vs tors. theta energy: -131.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1269.560599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.560599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.560599 (E_RNA) where: Base-Base interactions energy: -832.482 where: short stacking energy: -357.086 Base-Backbone interact. energy: -4.558 local terms energy: -432.520378 where: bonds (distance) C4'-P energy: -90.320 bonds (distance) P-C4' energy: -78.357 flat angles C4'-P-C4' energy: -93.304 flat angles P-C4'-P energy: -66.507 tors. eta vs tors. theta energy: -104.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1105.016087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.016087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.016087 (E_RNA) where: Base-Base interactions energy: -719.205 where: short stacking energy: -356.622 Base-Backbone interact. energy: 1.164 local terms energy: -386.975276 where: bonds (distance) C4'-P energy: -67.108 bonds (distance) P-C4' energy: -87.593 flat angles C4'-P-C4' energy: -85.701 flat angles P-C4'-P energy: -48.851 tors. eta vs tors. theta energy: -97.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -904.268038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.268038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.268038 (E_RNA) where: Base-Base interactions energy: -591.175 where: short stacking energy: -267.952 Base-Backbone interact. energy: -2.549 local terms energy: -310.544107 where: bonds (distance) C4'-P energy: -61.884 bonds (distance) P-C4' energy: -88.953 flat angles C4'-P-C4' energy: -67.716 flat angles P-C4'-P energy: -51.979 tors. eta vs tors. theta energy: -40.012 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: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -651.295701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.295701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.295701 (E_RNA) where: Base-Base interactions energy: -343.197 where: short stacking energy: -199.094 Base-Backbone interact. energy: -1.666 local terms energy: -306.433267 where: bonds (distance) C4'-P energy: -80.839 bonds (distance) P-C4' energy: -67.923 flat angles C4'-P-C4' energy: -78.066 flat angles P-C4'-P energy: -45.327 tors. eta vs tors. theta energy: -34.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -638.905598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.905598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.905598 (E_RNA) where: Base-Base interactions energy: -357.377 where: short stacking energy: -190.355 Base-Backbone interact. energy: 0.121 local terms energy: -281.650364 where: bonds (distance) C4'-P energy: -56.493 bonds (distance) P-C4' energy: -82.573 flat angles C4'-P-C4' energy: -77.542 flat angles P-C4'-P energy: -26.791 tors. eta vs tors. theta energy: -38.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -383.435695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.435695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.435695 (E_RNA) where: Base-Base interactions energy: -177.267 where: short stacking energy: -113.570 Base-Backbone interact. energy: -1.582 local terms energy: -204.587487 where: bonds (distance) C4'-P energy: -60.963 bonds (distance) P-C4' energy: -75.897 flat angles C4'-P-C4' energy: -60.475 flat angles P-C4'-P energy: -38.938 tors. eta vs tors. theta energy: 31.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1573.169945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.169945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.169945 (E_RNA) where: Base-Base interactions energy: -1079.822 where: short stacking energy: -447.824 Base-Backbone interact. energy: -1.096 local terms energy: -492.251586 where: bonds (distance) C4'-P energy: -86.454 bonds (distance) P-C4' energy: -99.765 flat angles C4'-P-C4' energy: -101.970 flat angles P-C4'-P energy: -70.070 tors. eta vs tors. theta energy: -133.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1548.393865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.393865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.393865 (E_RNA) where: Base-Base interactions energy: -1063.640 where: short stacking energy: -466.978 Base-Backbone interact. energy: 2.084 local terms energy: -486.838021 where: bonds (distance) C4'-P energy: -92.708 bonds (distance) P-C4' energy: -87.970 flat angles C4'-P-C4' energy: -101.060 flat angles P-C4'-P energy: -67.849 tors. eta vs tors. theta energy: -137.251 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: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1454.794514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.794514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.794514 (E_RNA) where: Base-Base interactions energy: -988.122 where: short stacking energy: -412.440 Base-Backbone interact. energy: 0.077 local terms energy: -466.748985 where: bonds (distance) C4'-P energy: -91.242 bonds (distance) P-C4' energy: -91.465 flat angles C4'-P-C4' energy: -97.339 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: -119.389 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: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1380.973146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.973146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.973146 (E_RNA) where: Base-Base interactions energy: -928.144 where: short stacking energy: -387.161 Base-Backbone interact. energy: -1.898 local terms energy: -450.931535 where: bonds (distance) C4'-P energy: -86.896 bonds (distance) P-C4' energy: -78.499 flat angles C4'-P-C4' energy: -99.353 flat angles P-C4'-P energy: -62.587 tors. eta vs tors. theta energy: -123.597 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: 229 Temperature: 1.100000 Total energy: -1191.265304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.265304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.265304 (E_RNA) where: Base-Base interactions energy: -783.880 where: short stacking energy: -322.366 Base-Backbone interact. energy: 1.410 local terms energy: -408.794790 where: bonds (distance) C4'-P energy: -91.682 bonds (distance) P-C4' energy: -82.659 flat angles C4'-P-C4' energy: -92.093 flat angles P-C4'-P energy: -46.698 tors. eta vs tors. theta energy: -95.664 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: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1124.897704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.897704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.897704 (E_RNA) where: Base-Base interactions energy: -737.311 where: short stacking energy: -343.871 Base-Backbone interact. energy: 0.032 local terms energy: -387.618019 where: bonds (distance) C4'-P energy: -63.004 bonds (distance) P-C4' energy: -79.717 flat angles C4'-P-C4' energy: -88.152 flat angles P-C4'-P energy: -56.247 tors. eta vs tors. theta energy: -100.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -892.546713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.546713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.546713 (E_RNA) where: Base-Base interactions energy: -552.777 where: short stacking energy: -278.791 Base-Backbone interact. energy: 2.959 local terms energy: -342.728619 where: bonds (distance) C4'-P energy: -68.459 bonds (distance) P-C4' energy: -79.670 flat angles C4'-P-C4' energy: -82.008 flat angles P-C4'-P energy: -54.817 tors. eta vs tors. theta energy: -57.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -736.428735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.428735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.428735 (E_RNA) where: Base-Base interactions energy: -423.455 where: short stacking energy: -206.351 Base-Backbone interact. energy: -1.850 local terms energy: -311.123333 where: bonds (distance) C4'-P energy: -78.761 bonds (distance) P-C4' energy: -73.214 flat angles C4'-P-C4' energy: -82.475 flat angles P-C4'-P energy: -41.314 tors. eta vs tors. theta energy: -35.359 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: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -635.487435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.487435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.487435 (E_RNA) where: Base-Base interactions energy: -363.893 where: short stacking energy: -187.320 Base-Backbone interact. energy: -2.295 local terms energy: -269.299075 where: bonds (distance) C4'-P energy: -78.917 bonds (distance) P-C4' energy: -71.995 flat angles C4'-P-C4' energy: -71.698 flat angles P-C4'-P energy: -24.387 tors. eta vs tors. theta energy: -22.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -354.505226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.505226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.505226 (E_RNA) where: Base-Base interactions energy: -132.675 where: short stacking energy: -101.062 Base-Backbone interact. energy: -2.224 local terms energy: -219.605986 where: bonds (distance) C4'-P energy: -66.480 bonds (distance) P-C4' energy: -84.738 flat angles C4'-P-C4' energy: -46.919 flat angles P-C4'-P energy: -33.601 tors. eta vs tors. theta energy: 12.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1600.529076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.529076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.529076 (E_RNA) where: Base-Base interactions energy: -1110.840 where: short stacking energy: -440.749 Base-Backbone interact. energy: -1.743 local terms energy: -487.946326 where: bonds (distance) C4'-P energy: -87.641 bonds (distance) P-C4' energy: -95.957 flat angles C4'-P-C4' energy: -102.837 flat angles P-C4'-P energy: -76.398 tors. eta vs tors. theta energy: -125.113 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: 2 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1573.218418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.218418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.218418 (E_RNA) where: Base-Base interactions energy: -1066.785 where: short stacking energy: -429.221 Base-Backbone interact. energy: -0.358 local terms energy: -506.075516 where: bonds (distance) C4'-P energy: -93.317 bonds (distance) P-C4' energy: -103.432 flat angles C4'-P-C4' energy: -99.319 flat angles P-C4'-P energy: -71.499 tors. eta vs tors. theta energy: -138.509 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: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1494.421508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.421508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.421508 (E_RNA) where: Base-Base interactions energy: -1018.532 where: short stacking energy: -423.236 Base-Backbone interact. energy: -1.669 local terms energy: -474.220615 where: bonds (distance) C4'-P energy: -87.836 bonds (distance) P-C4' energy: -91.258 flat angles C4'-P-C4' energy: -99.810 flat angles P-C4'-P energy: -65.067 tors. eta vs tors. theta energy: -130.250 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: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1406.431558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.431558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.431558 (E_RNA) where: Base-Base interactions energy: -959.990 where: short stacking energy: -419.441 Base-Backbone interact. energy: -1.115 local terms energy: -445.327092 where: bonds (distance) C4'-P energy: -82.496 bonds (distance) P-C4' energy: -84.911 flat angles C4'-P-C4' energy: -98.057 flat angles P-C4'-P energy: -64.384 tors. eta vs tors. theta energy: -115.480 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: 5 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1268.811618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.811618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.811618 (E_RNA) where: Base-Base interactions energy: -836.640 where: short stacking energy: -340.382 Base-Backbone interact. energy: -2.193 local terms energy: -429.978129 where: bonds (distance) C4'-P energy: -87.439 bonds (distance) P-C4' energy: -83.622 flat angles C4'-P-C4' energy: -100.298 flat angles P-C4'-P energy: -52.903 tors. eta vs tors. theta energy: -105.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1120.482712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.482712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.482712 (E_RNA) where: Base-Base interactions energy: -716.510 where: short stacking energy: -329.860 Base-Backbone interact. energy: -0.030 local terms energy: -403.943250 where: bonds (distance) C4'-P energy: -90.862 bonds (distance) P-C4' energy: -82.416 flat angles C4'-P-C4' energy: -84.544 flat angles P-C4'-P energy: -57.831 tors. eta vs tors. theta energy: -88.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -902.682588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.682588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.682588 (E_RNA) where: Base-Base interactions energy: -535.394 where: short stacking energy: -248.046 Base-Backbone interact. energy: -1.943 local terms energy: -365.345822 where: bonds (distance) C4'-P energy: -87.563 bonds (distance) P-C4' energy: -81.111 flat angles C4'-P-C4' energy: -75.759 flat angles P-C4'-P energy: -55.752 tors. eta vs tors. theta energy: -65.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -758.055851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.055851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.055851 (E_RNA) where: Base-Base interactions energy: -438.063 where: short stacking energy: -217.248 Base-Backbone interact. energy: -3.166 local terms energy: -316.827225 where: bonds (distance) C4'-P energy: -73.578 bonds (distance) P-C4' energy: -75.858 flat angles C4'-P-C4' energy: -78.922 flat angles P-C4'-P energy: -57.013 tors. eta vs tors. theta energy: -31.456 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: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -613.232828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.232828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.232828 (E_RNA) where: Base-Base interactions energy: -331.754 where: short stacking energy: -178.531 Base-Backbone interact. energy: 8.191 local terms energy: -289.670050 where: bonds (distance) C4'-P energy: -79.486 bonds (distance) P-C4' energy: -74.261 flat angles C4'-P-C4' energy: -79.250 flat angles P-C4'-P energy: -46.821 tors. eta vs tors. theta energy: -9.852 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: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -366.217790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.217790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.217790 (E_RNA) where: Base-Base interactions energy: -113.037 where: short stacking energy: -84.964 Base-Backbone interact. energy: -1.321 local terms energy: -251.860018 where: bonds (distance) C4'-P energy: -73.456 bonds (distance) P-C4' energy: -75.672 flat angles C4'-P-C4' energy: -71.138 flat angles P-C4'-P energy: -48.188 tors. eta vs tors. theta energy: 16.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1548.062583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.062583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.062583 (E_RNA) where: Base-Base interactions energy: -1066.657 where: short stacking energy: -422.634 Base-Backbone interact. energy: -5.785 local terms energy: -475.621442 where: bonds (distance) C4'-P energy: -93.514 bonds (distance) P-C4' energy: -93.560 flat angles C4'-P-C4' energy: -102.986 flat angles P-C4'-P energy: -63.735 tors. eta vs tors. theta energy: -121.826 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: 2 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1551.843103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.843103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.843103 (E_RNA) where: Base-Base interactions energy: -1065.433 where: short stacking energy: -445.479 Base-Backbone interact. energy: -2.121 local terms energy: -484.289527 where: bonds (distance) C4'-P energy: -87.603 bonds (distance) P-C4' energy: -87.075 flat angles C4'-P-C4' energy: -99.299 flat angles P-C4'-P energy: -75.230 tors. eta vs tors. theta energy: -135.082 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: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1458.878281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.878281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.878281 (E_RNA) where: Base-Base interactions energy: -998.207 where: short stacking energy: -403.162 Base-Backbone interact. energy: -2.526 local terms energy: -458.145204 where: bonds (distance) C4'-P energy: -91.521 bonds (distance) P-C4' energy: -82.481 flat angles C4'-P-C4' energy: -98.424 flat angles P-C4'-P energy: -62.338 tors. eta vs tors. theta energy: -123.382 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: 231 Temperature: 1.050000 Total energy: -1388.407962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.407962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.407962 (E_RNA) where: Base-Base interactions energy: -949.421 where: short stacking energy: -407.044 Base-Backbone interact. energy: -1.075 local terms energy: -437.912419 where: bonds (distance) C4'-P energy: -85.698 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -96.832 flat angles P-C4'-P energy: -67.299 tors. eta vs tors. theta energy: -128.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1247.907576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.907576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.907576 (E_RNA) where: Base-Base interactions energy: -834.014 where: short stacking energy: -332.366 Base-Backbone interact. energy: -0.344 local terms energy: -413.550147 where: bonds (distance) C4'-P energy: -84.232 bonds (distance) P-C4' energy: -89.463 flat angles C4'-P-C4' energy: -81.786 flat angles P-C4'-P energy: -59.112 tors. eta vs tors. theta energy: -98.957 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: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1112.056611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.056611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.056611 (E_RNA) where: Base-Base interactions energy: -731.075 where: short stacking energy: -339.487 Base-Backbone interact. energy: -0.971 local terms energy: -380.011129 where: bonds (distance) C4'-P energy: -72.261 bonds (distance) P-C4' energy: -72.304 flat angles C4'-P-C4' energy: -85.565 flat angles P-C4'-P energy: -58.868 tors. eta vs tors. theta energy: -91.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -922.612492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.612492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.612492 (E_RNA) where: Base-Base interactions energy: -583.144 where: short stacking energy: -261.814 Base-Backbone interact. energy: 0.519 local terms energy: -339.987289 where: bonds (distance) C4'-P energy: -65.599 bonds (distance) P-C4' energy: -77.274 flat angles C4'-P-C4' energy: -83.345 flat angles P-C4'-P energy: -53.884 tors. eta vs tors. theta energy: -59.886 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: 8, replica: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -756.645486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.645486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.645486 (E_RNA) where: Base-Base interactions energy: -440.150 where: short stacking energy: -227.654 Base-Backbone interact. energy: -0.893 local terms energy: -315.602733 where: bonds (distance) C4'-P energy: -80.434 bonds (distance) P-C4' energy: -89.295 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -38.665 tors. eta vs tors. theta energy: -40.522 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: 9, replica: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -546.150222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.150222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.150222 (E_RNA) where: Base-Base interactions energy: -269.709 where: short stacking energy: -162.290 Base-Backbone interact. energy: 2.859 local terms energy: -279.300667 where: bonds (distance) C4'-P energy: -77.955 bonds (distance) P-C4' energy: -78.349 flat angles C4'-P-C4' energy: -70.404 flat angles P-C4'-P energy: -43.779 tors. eta vs tors. theta energy: -8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -349.275760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.275760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.275760 (E_RNA) where: Base-Base interactions energy: -122.818 where: short stacking energy: -82.317 Base-Backbone interact. energy: 3.532 local terms energy: -229.989941 where: bonds (distance) C4'-P energy: -68.361 bonds (distance) P-C4' energy: -85.429 flat angles C4'-P-C4' energy: -60.434 flat angles P-C4'-P energy: -33.419 tors. eta vs tors. theta energy: 17.653 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: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1569.438582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.438582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.438582 (E_RNA) where: Base-Base interactions energy: -1075.969 where: short stacking energy: -431.133 Base-Backbone interact. energy: -1.759 local terms energy: -491.711175 where: bonds (distance) C4'-P energy: -96.435 bonds (distance) P-C4' energy: -107.322 flat angles C4'-P-C4' energy: -101.989 flat angles P-C4'-P energy: -57.063 tors. eta vs tors. theta energy: -128.902 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: 232 Temperature: 0.950000 Total energy: -1531.080096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.080096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.080096 (E_RNA) where: Base-Base interactions energy: -1049.212 where: short stacking energy: -437.391 Base-Backbone interact. energy: -1.389 local terms energy: -480.479287 where: bonds (distance) C4'-P energy: -84.091 bonds (distance) P-C4' energy: -96.805 flat angles C4'-P-C4' energy: -104.537 flat angles P-C4'-P energy: -62.442 tors. eta vs tors. theta energy: -132.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1481.013788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.013788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.013788 (E_RNA) where: Base-Base interactions energy: -1031.921 where: short stacking energy: -426.431 Base-Backbone interact. energy: -1.896 local terms energy: -447.197167 where: bonds (distance) C4'-P energy: -71.970 bonds (distance) P-C4' energy: -86.298 flat angles C4'-P-C4' energy: -90.763 flat angles P-C4'-P energy: -71.467 tors. eta vs tors. theta energy: -126.699 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: 232 Temperature: 1.050000 Total energy: -1358.993904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.993904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.993904 (E_RNA) where: Base-Base interactions energy: -886.878 where: short stacking energy: -398.477 Base-Backbone interact. energy: -1.101 local terms energy: -471.014248 where: bonds (distance) C4'-P energy: -92.179 bonds (distance) P-C4' energy: -81.550 flat angles C4'-P-C4' energy: -101.850 flat angles P-C4'-P energy: -71.356 tors. eta vs tors. theta energy: -124.080 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: 232 Temperature: 1.100000 Total energy: -1270.265867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.265867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.265867 (E_RNA) where: Base-Base interactions energy: -874.493 where: short stacking energy: -373.700 Base-Backbone interact. energy: -1.752 local terms energy: -394.021247 where: bonds (distance) C4'-P energy: -68.351 bonds (distance) P-C4' energy: -81.392 flat angles C4'-P-C4' energy: -94.698 flat angles P-C4'-P energy: -48.629 tors. eta vs tors. theta energy: -100.950 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: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1116.014459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.014459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.014459 (E_RNA) where: Base-Base interactions energy: -709.684 where: short stacking energy: -311.083 Base-Backbone interact. energy: 0.658 local terms energy: -406.988132 where: bonds (distance) C4'-P energy: -81.906 bonds (distance) P-C4' energy: -83.224 flat angles C4'-P-C4' energy: -98.276 flat angles P-C4'-P energy: -55.834 tors. eta vs tors. theta energy: -87.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -905.020543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.020543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.020543 (E_RNA) where: Base-Base interactions energy: -559.300 where: short stacking energy: -267.110 Base-Backbone interact. energy: 0.398 local terms energy: -346.118259 where: bonds (distance) C4'-P energy: -64.761 bonds (distance) P-C4' energy: -91.583 flat angles C4'-P-C4' energy: -70.205 flat angles P-C4'-P energy: -45.422 tors. eta vs tors. theta energy: -74.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -735.375960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.375960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.375960 (E_RNA) where: Base-Base interactions energy: -449.989 where: short stacking energy: -212.558 Base-Backbone interact. energy: -2.288 local terms energy: -283.098808 where: bonds (distance) C4'-P energy: -76.973 bonds (distance) P-C4' energy: -73.329 flat angles C4'-P-C4' energy: -79.349 flat angles P-C4'-P energy: -40.849 tors. eta vs tors. theta energy: -12.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -564.215223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.215223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.215223 (E_RNA) where: Base-Base interactions energy: -302.237 where: short stacking energy: -170.745 Base-Backbone interact. energy: 2.261 local terms energy: -264.239541 where: bonds (distance) C4'-P energy: -56.656 bonds (distance) P-C4' energy: -75.403 flat angles C4'-P-C4' energy: -72.388 flat angles P-C4'-P energy: -45.561 tors. eta vs tors. theta energy: -14.232 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: 10, replica: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -342.547971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.547971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.547971 (E_RNA) where: Base-Base interactions energy: -107.930 where: short stacking energy: -96.787 Base-Backbone interact. energy: 1.503 local terms energy: -236.121325 where: bonds (distance) C4'-P energy: -82.729 bonds (distance) P-C4' energy: -82.398 flat angles C4'-P-C4' energy: -59.498 flat angles P-C4'-P energy: -27.922 tors. eta vs tors. theta energy: 16.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1568.298985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.298985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.298985 (E_RNA) where: Base-Base interactions energy: -1088.361 where: short stacking energy: -440.962 Base-Backbone interact. energy: 0.634 local terms energy: -480.571906 where: bonds (distance) C4'-P energy: -86.265 bonds (distance) P-C4' energy: -89.654 flat angles C4'-P-C4' energy: -108.036 flat angles P-C4'-P energy: -75.127 tors. eta vs tors. theta energy: -121.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1536.104829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.104829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.104829 (E_RNA) where: Base-Base interactions energy: -1051.591 where: short stacking energy: -427.633 Base-Backbone interact. energy: -0.989 local terms energy: -483.525182 where: bonds (distance) C4'-P energy: -90.646 bonds (distance) P-C4' energy: -83.558 flat angles C4'-P-C4' energy: -104.305 flat angles P-C4'-P energy: -68.721 tors. eta vs tors. theta energy: -136.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1448.848438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.848438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.848438 (E_RNA) where: Base-Base interactions energy: -998.417 where: short stacking energy: -394.876 Base-Backbone interact. energy: -1.435 local terms energy: -448.997379 where: bonds (distance) C4'-P energy: -85.874 bonds (distance) P-C4' energy: -78.800 flat angles C4'-P-C4' energy: -103.991 flat angles P-C4'-P energy: -68.178 tors. eta vs tors. theta energy: -112.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1336.233896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.233896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.233896 (E_RNA) where: Base-Base interactions energy: -893.548 where: short stacking energy: -396.689 Base-Backbone interact. energy: -3.493 local terms energy: -439.192719 where: bonds (distance) C4'-P energy: -75.458 bonds (distance) P-C4' energy: -85.244 flat angles C4'-P-C4' energy: -102.846 flat angles P-C4'-P energy: -55.167 tors. eta vs tors. theta energy: -120.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1245.457243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.457243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.457243 (E_RNA) where: Base-Base interactions energy: -839.437 where: short stacking energy: -338.993 Base-Backbone interact. energy: 4.146 local terms energy: -410.166499 where: bonds (distance) C4'-P energy: -78.341 bonds (distance) P-C4' energy: -80.602 flat angles C4'-P-C4' energy: -83.897 flat angles P-C4'-P energy: -71.752 tors. eta vs tors. theta energy: -95.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1119.952343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.952343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.952343 (E_RNA) where: Base-Base interactions energy: -744.789 where: short stacking energy: -332.739 Base-Backbone interact. energy: 2.028 local terms energy: -377.191222 where: bonds (distance) C4'-P energy: -81.878 bonds (distance) P-C4' energy: -82.649 flat angles C4'-P-C4' energy: -91.269 flat angles P-C4'-P energy: -41.192 tors. eta vs tors. theta energy: -80.203 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: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -927.283551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.283551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.283551 (E_RNA) where: Base-Base interactions energy: -580.124 where: short stacking energy: -277.927 Base-Backbone interact. energy: -2.703 local terms energy: -344.456750 where: bonds (distance) C4'-P energy: -69.631 bonds (distance) P-C4' energy: -88.003 flat angles C4'-P-C4' energy: -83.781 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: -56.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -762.918107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.918107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.918107 (E_RNA) where: Base-Base interactions energy: -443.401 where: short stacking energy: -234.856 Base-Backbone interact. energy: -2.729 local terms energy: -316.788566 where: bonds (distance) C4'-P energy: -81.105 bonds (distance) P-C4' energy: -67.383 flat angles C4'-P-C4' energy: -74.153 flat angles P-C4'-P energy: -43.795 tors. eta vs tors. theta energy: -50.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -552.735136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.735136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.735136 (E_RNA) where: Base-Base interactions energy: -275.346 where: short stacking energy: -160.752 Base-Backbone interact. energy: -1.771 local terms energy: -275.618262 where: bonds (distance) C4'-P energy: -88.822 bonds (distance) P-C4' energy: -86.189 flat angles C4'-P-C4' energy: -61.301 flat angles P-C4'-P energy: -26.591 tors. eta vs tors. theta energy: -12.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -381.734165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.734165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.734165 (E_RNA) where: Base-Base interactions energy: -152.868 where: short stacking energy: -85.376 Base-Backbone interact. energy: -2.257 local terms energy: -226.609006 where: bonds (distance) C4'-P energy: -76.908 bonds (distance) P-C4' energy: -80.182 flat angles C4'-P-C4' energy: -63.909 flat angles P-C4'-P energy: -32.698 tors. eta vs tors. theta energy: 27.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1588.822584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.822584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.822584 (E_RNA) where: Base-Base interactions energy: -1109.247 where: short stacking energy: -455.442 Base-Backbone interact. energy: -2.400 local terms energy: -477.175519 where: bonds (distance) C4'-P energy: -96.770 bonds (distance) P-C4' energy: -74.684 flat angles C4'-P-C4' energy: -108.525 flat angles P-C4'-P energy: -63.247 tors. eta vs tors. theta energy: -133.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1499.863873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.863873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.863873 (E_RNA) where: Base-Base interactions energy: -1028.849 where: short stacking energy: -419.857 Base-Backbone interact. energy: -0.312 local terms energy: -470.703359 where: bonds (distance) C4'-P energy: -89.288 bonds (distance) P-C4' energy: -97.985 flat angles C4'-P-C4' energy: -95.378 flat angles P-C4'-P energy: -68.950 tors. eta vs tors. theta energy: -119.102 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: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1441.334634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.334634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.334634 (E_RNA) where: Base-Base interactions energy: -990.621 where: short stacking energy: -402.920 Base-Backbone interact. energy: 0.302 local terms energy: -451.016112 where: bonds (distance) C4'-P energy: -78.738 bonds (distance) P-C4' energy: -82.225 flat angles C4'-P-C4' energy: -100.082 flat angles P-C4'-P energy: -75.809 tors. eta vs tors. theta energy: -114.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1345.180905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.180905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.180905 (E_RNA) where: Base-Base interactions energy: -899.483 where: short stacking energy: -375.884 Base-Backbone interact. energy: -1.607 local terms energy: -444.090544 where: bonds (distance) C4'-P energy: -91.784 bonds (distance) P-C4' energy: -88.718 flat angles C4'-P-C4' energy: -92.062 flat angles P-C4'-P energy: -62.222 tors. eta vs tors. theta energy: -109.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1265.986270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.986270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.986270 (E_RNA) where: Base-Base interactions energy: -833.498 where: short stacking energy: -343.087 Base-Backbone interact. energy: -1.180 local terms energy: -431.308293 where: bonds (distance) C4'-P energy: -84.244 bonds (distance) P-C4' energy: -91.384 flat angles C4'-P-C4' energy: -100.247 flat angles P-C4'-P energy: -52.952 tors. eta vs tors. theta energy: -102.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1112.445332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.445332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.445332 (E_RNA) where: Base-Base interactions energy: -728.420 where: short stacking energy: -355.903 Base-Backbone interact. energy: -1.084 local terms energy: -382.941251 where: bonds (distance) C4'-P energy: -74.211 bonds (distance) P-C4' energy: -74.107 flat angles C4'-P-C4' energy: -92.246 flat angles P-C4'-P energy: -50.514 tors. eta vs tors. theta energy: -91.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -933.873112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.873112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.873112 (E_RNA) where: Base-Base interactions energy: -607.548 where: short stacking energy: -276.019 Base-Backbone interact. energy: -2.167 local terms energy: -324.158228 where: bonds (distance) C4'-P energy: -62.557 bonds (distance) P-C4' energy: -77.834 flat angles C4'-P-C4' energy: -71.577 flat angles P-C4'-P energy: -50.830 tors. eta vs tors. theta energy: -61.361 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: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -768.645828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.645828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.645828 (E_RNA) where: Base-Base interactions energy: -428.640 where: short stacking energy: -221.343 Base-Backbone interact. energy: -2.330 local terms energy: -337.675595 where: bonds (distance) C4'-P energy: -74.525 bonds (distance) P-C4' energy: -89.225 flat angles C4'-P-C4' energy: -89.124 flat angles P-C4'-P energy: -48.164 tors. eta vs tors. theta energy: -36.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -578.438726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.438726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.438726 (E_RNA) where: Base-Base interactions energy: -310.738 where: short stacking energy: -146.839 Base-Backbone interact. energy: -0.139 local terms energy: -267.561269 where: bonds (distance) C4'-P energy: -73.666 bonds (distance) P-C4' energy: -70.710 flat angles C4'-P-C4' energy: -78.761 flat angles P-C4'-P energy: -35.468 tors. eta vs tors. theta energy: -8.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -335.909208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.909208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.909208 (E_RNA) where: Base-Base interactions energy: -132.603 where: short stacking energy: -98.043 Base-Backbone interact. energy: 2.604 local terms energy: -205.911029 where: bonds (distance) C4'-P energy: -58.833 bonds (distance) P-C4' energy: -84.489 flat angles C4'-P-C4' energy: -52.710 flat angles P-C4'-P energy: -39.868 tors. eta vs tors. theta energy: 29.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1581.313930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.313930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.313930 (E_RNA) where: Base-Base interactions energy: -1102.403 where: short stacking energy: -462.578 Base-Backbone interact. energy: 0.845 local terms energy: -479.756041 where: bonds (distance) C4'-P energy: -82.657 bonds (distance) P-C4' energy: -85.347 flat angles C4'-P-C4' energy: -100.878 flat angles P-C4'-P energy: -70.991 tors. eta vs tors. theta energy: -139.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1508.943957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.943957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.943957 (E_RNA) where: Base-Base interactions energy: -1045.049 where: short stacking energy: -423.530 Base-Backbone interact. energy: 1.300 local terms energy: -465.195600 where: bonds (distance) C4'-P energy: -95.341 bonds (distance) P-C4' energy: -86.796 flat angles C4'-P-C4' energy: -97.012 flat angles P-C4'-P energy: -67.863 tors. eta vs tors. theta energy: -118.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1450.218340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.218340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.218340 (E_RNA) where: Base-Base interactions energy: -1000.447 where: short stacking energy: -406.328 Base-Backbone interact. energy: -3.991 local terms energy: -445.780340 where: bonds (distance) C4'-P energy: -89.310 bonds (distance) P-C4' energy: -68.772 flat angles C4'-P-C4' energy: -90.748 flat angles P-C4'-P energy: -73.721 tors. eta vs tors. theta energy: -123.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1303.996344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.996344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.996344 (E_RNA) where: Base-Base interactions energy: -859.221 where: short stacking energy: -379.099 Base-Backbone interact. energy: -1.122 local terms energy: -443.653424 where: bonds (distance) C4'-P energy: -89.078 bonds (distance) P-C4' energy: -88.088 flat angles C4'-P-C4' energy: -86.834 flat angles P-C4'-P energy: -69.817 tors. eta vs tors. theta energy: -109.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1363.372594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.372594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.372594 (E_RNA) where: Base-Base interactions energy: -941.157 where: short stacking energy: -392.025 Base-Backbone interact. energy: 0.766 local terms energy: -422.981757 where: bonds (distance) C4'-P energy: -80.883 bonds (distance) P-C4' energy: -85.507 flat angles C4'-P-C4' energy: -94.349 flat angles P-C4'-P energy: -48.615 tors. eta vs tors. theta energy: -113.628 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: 6, replica: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1110.214629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.214629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.214629 (E_RNA) where: Base-Base interactions energy: -707.022 where: short stacking energy: -330.662 Base-Backbone interact. energy: -2.788 local terms energy: -400.403876 where: bonds (distance) C4'-P energy: -93.952 bonds (distance) P-C4' energy: -80.883 flat angles C4'-P-C4' energy: -87.276 flat angles P-C4'-P energy: -55.958 tors. eta vs tors. theta energy: -82.335 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: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -926.009189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.009189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.009189 (E_RNA) where: Base-Base interactions energy: -592.379 where: short stacking energy: -265.819 Base-Backbone interact. energy: -1.622 local terms energy: -332.007546 where: bonds (distance) C4'-P energy: -77.583 bonds (distance) P-C4' energy: -87.591 flat angles C4'-P-C4' energy: -69.181 flat angles P-C4'-P energy: -45.334 tors. eta vs tors. theta energy: -52.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -793.825929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.825929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.825929 (E_RNA) where: Base-Base interactions energy: -463.866 where: short stacking energy: -217.403 Base-Backbone interact. energy: -1.789 local terms energy: -328.170613 where: bonds (distance) C4'-P energy: -63.534 bonds (distance) P-C4' energy: -89.984 flat angles C4'-P-C4' energy: -76.463 flat angles P-C4'-P energy: -56.944 tors. eta vs tors. theta energy: -41.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -562.597073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.597073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.597073 (E_RNA) where: Base-Base interactions energy: -283.657 where: short stacking energy: -159.327 Base-Backbone interact. energy: -1.640 local terms energy: -277.299806 where: bonds (distance) C4'-P energy: -76.501 bonds (distance) P-C4' energy: -70.231 flat angles C4'-P-C4' energy: -85.602 flat angles P-C4'-P energy: -31.505 tors. eta vs tors. theta energy: -13.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -406.789305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.789305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.789305 (E_RNA) where: Base-Base interactions energy: -142.811 where: short stacking energy: -104.660 Base-Backbone interact. energy: 0.253 local terms energy: -264.231291 where: bonds (distance) C4'-P energy: -71.877 bonds (distance) P-C4' energy: -83.288 flat angles C4'-P-C4' energy: -76.874 flat angles P-C4'-P energy: -30.467 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1586.390200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.390200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.390200 (E_RNA) where: Base-Base interactions energy: -1093.947 where: short stacking energy: -454.147 Base-Backbone interact. energy: -1.746 local terms energy: -490.697341 where: bonds (distance) C4'-P energy: -86.427 bonds (distance) P-C4' energy: -90.343 flat angles C4'-P-C4' energy: -108.996 flat angles P-C4'-P energy: -63.258 tors. eta vs tors. theta energy: -141.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1539.820884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.820884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.820884 (E_RNA) where: Base-Base interactions energy: -1069.766 where: short stacking energy: -420.470 Base-Backbone interact. energy: 1.547 local terms energy: -471.602228 where: bonds (distance) C4'-P energy: -94.047 bonds (distance) P-C4' energy: -88.972 flat angles C4'-P-C4' energy: -105.773 flat angles P-C4'-P energy: -65.908 tors. eta vs tors. theta energy: -116.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1410.012708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.012708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.012708 (E_RNA) where: Base-Base interactions energy: -963.621 where: short stacking energy: -408.324 Base-Backbone interact. energy: -0.666 local terms energy: -445.726045 where: bonds (distance) C4'-P energy: -90.913 bonds (distance) P-C4' energy: -74.426 flat angles C4'-P-C4' energy: -92.553 flat angles P-C4'-P energy: -65.632 tors. eta vs tors. theta energy: -122.202 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: 5 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1329.704875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.704875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.704875 (E_RNA) where: Base-Base interactions energy: -887.432 where: short stacking energy: -382.621 Base-Backbone interact. energy: -0.686 local terms energy: -441.586786 where: bonds (distance) C4'-P energy: -83.535 bonds (distance) P-C4' energy: -83.764 flat angles C4'-P-C4' energy: -104.163 flat angles P-C4'-P energy: -52.626 tors. eta vs tors. theta energy: -117.499 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: 5, replica: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1332.542456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.542456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.542456 (E_RNA) where: Base-Base interactions energy: -903.553 where: short stacking energy: -368.888 Base-Backbone interact. energy: -1.033 local terms energy: -427.956978 where: bonds (distance) C4'-P energy: -91.709 bonds (distance) P-C4' energy: -72.243 flat angles C4'-P-C4' energy: -90.159 flat angles P-C4'-P energy: -61.392 tors. eta vs tors. theta energy: -112.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1091.523595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.523595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.523595 (E_RNA) where: Base-Base interactions energy: -694.295 where: short stacking energy: -319.357 Base-Backbone interact. energy: -0.038 local terms energy: -397.191037 where: bonds (distance) C4'-P energy: -89.454 bonds (distance) P-C4' energy: -85.743 flat angles C4'-P-C4' energy: -82.672 flat angles P-C4'-P energy: -50.421 tors. eta vs tors. theta energy: -88.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -944.407823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.407823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.407823 (E_RNA) where: Base-Base interactions energy: -586.449 where: short stacking energy: -296.033 Base-Backbone interact. energy: 4.649 local terms energy: -362.607973 where: bonds (distance) C4'-P energy: -78.899 bonds (distance) P-C4' energy: -87.326 flat angles C4'-P-C4' energy: -85.350 flat angles P-C4'-P energy: -44.940 tors. eta vs tors. theta energy: -66.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -710.626787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.626787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.626787 (E_RNA) where: Base-Base interactions energy: -415.204 where: short stacking energy: -208.207 Base-Backbone interact. energy: -1.796 local terms energy: -293.626507 where: bonds (distance) C4'-P energy: -74.254 bonds (distance) P-C4' energy: -77.009 flat angles C4'-P-C4' energy: -82.213 flat angles P-C4'-P energy: -35.234 tors. eta vs tors. theta energy: -24.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -541.260928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.260928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.260928 (E_RNA) where: Base-Base interactions energy: -263.415 where: short stacking energy: -158.859 Base-Backbone interact. energy: 0.573 local terms energy: -278.419137 where: bonds (distance) C4'-P energy: -67.789 bonds (distance) P-C4' energy: -82.310 flat angles C4'-P-C4' energy: -67.850 flat angles P-C4'-P energy: -55.182 tors. eta vs tors. theta energy: -5.288 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: 10, replica: 9 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -348.035834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.035834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.035834 (E_RNA) where: Base-Base interactions energy: -154.098 where: short stacking energy: -109.100 Base-Backbone interact. energy: 0.039 local terms energy: -193.976285 where: bonds (distance) C4'-P energy: -61.986 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -52.294 flat angles P-C4'-P energy: -30.824 tors. eta vs tors. theta energy: 18.395 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: 2 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1573.671315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.671315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.671315 (E_RNA) where: Base-Base interactions energy: -1085.002 where: short stacking energy: -464.575 Base-Backbone interact. energy: -2.205 local terms energy: -486.464326 where: bonds (distance) C4'-P energy: -84.118 bonds (distance) P-C4' energy: -87.547 flat angles C4'-P-C4' energy: -102.269 flat angles P-C4'-P energy: -74.001 tors. eta vs tors. theta energy: -138.530 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: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1540.629127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.629127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.629127 (E_RNA) where: Base-Base interactions energy: -1068.875 where: short stacking energy: -437.736 Base-Backbone interact. energy: -2.425 local terms energy: -469.329943 where: bonds (distance) C4'-P energy: -91.142 bonds (distance) P-C4' energy: -87.697 flat angles C4'-P-C4' energy: -101.177 flat angles P-C4'-P energy: -56.501 tors. eta vs tors. theta energy: -132.812 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: 4 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1470.096565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.096565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.096565 (E_RNA) where: Base-Base interactions energy: -1008.628 where: short stacking energy: -417.559 Base-Backbone interact. energy: -1.025 local terms energy: -460.443855 where: bonds (distance) C4'-P energy: -88.653 bonds (distance) P-C4' energy: -91.352 flat angles C4'-P-C4' energy: -100.588 flat angles P-C4'-P energy: -61.766 tors. eta vs tors. theta energy: -118.084 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: 5 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1315.667944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.667944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.667944 (E_RNA) where: Base-Base interactions energy: -879.352 where: short stacking energy: -376.022 Base-Backbone interact. energy: -2.433 local terms energy: -433.882561 where: bonds (distance) C4'-P energy: -90.108 bonds (distance) P-C4' energy: -91.086 flat angles C4'-P-C4' energy: -87.922 flat angles P-C4'-P energy: -59.541 tors. eta vs tors. theta energy: -105.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1343.496295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.496295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.496295 (E_RNA) where: Base-Base interactions energy: -924.416 where: short stacking energy: -386.459 Base-Backbone interact. energy: -1.190 local terms energy: -417.891133 where: bonds (distance) C4'-P energy: -79.441 bonds (distance) P-C4' energy: -78.022 flat angles C4'-P-C4' energy: -88.899 flat angles P-C4'-P energy: -61.165 tors. eta vs tors. theta energy: -110.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1100.469599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.469599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.469599 (E_RNA) where: Base-Base interactions energy: -728.420 where: short stacking energy: -326.948 Base-Backbone interact. energy: -2.420 local terms energy: -369.629774 where: bonds (distance) C4'-P energy: -77.650 bonds (distance) P-C4' energy: -66.368 flat angles C4'-P-C4' energy: -81.755 flat angles P-C4'-P energy: -58.396 tors. eta vs tors. theta energy: -85.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -965.495773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.495773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.495773 (E_RNA) where: Base-Base interactions energy: -599.047 where: short stacking energy: -275.044 Base-Backbone interact. energy: -0.958 local terms energy: -365.490865 where: bonds (distance) C4'-P energy: -67.849 bonds (distance) P-C4' energy: -84.498 flat angles C4'-P-C4' energy: -89.450 flat angles P-C4'-P energy: -62.202 tors. eta vs tors. theta energy: -61.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -780.692847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.692847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.692847 (E_RNA) where: Base-Base interactions energy: -463.254 where: short stacking energy: -224.390 Base-Backbone interact. energy: -1.159 local terms energy: -316.279858 where: bonds (distance) C4'-P energy: -73.423 bonds (distance) P-C4' energy: -97.138 flat angles C4'-P-C4' energy: -75.821 flat angles P-C4'-P energy: -48.968 tors. eta vs tors. theta energy: -20.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -568.702104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.702104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.702104 (E_RNA) where: Base-Base interactions energy: -277.391 where: short stacking energy: -169.703 Base-Backbone interact. energy: -2.035 local terms energy: -289.276673 where: bonds (distance) C4'-P energy: -67.881 bonds (distance) P-C4' energy: -79.237 flat angles C4'-P-C4' energy: -73.374 flat angles P-C4'-P energy: -44.065 tors. eta vs tors. theta energy: -24.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -359.631179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.631179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.631179 (E_RNA) where: Base-Base interactions energy: -98.577 where: short stacking energy: -63.399 Base-Backbone interact. energy: -1.952 local terms energy: -259.102278 where: bonds (distance) C4'-P energy: -77.238 bonds (distance) P-C4' energy: -81.523 flat angles C4'-P-C4' energy: -67.690 flat angles P-C4'-P energy: -44.221 tors. eta vs tors. theta energy: 11.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1582.890412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.890412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.890412 (E_RNA) where: Base-Base interactions energy: -1094.035 where: short stacking energy: -434.384 Base-Backbone interact. energy: -4.225 local terms energy: -484.630151 where: bonds (distance) C4'-P energy: -95.182 bonds (distance) P-C4' energy: -91.065 flat angles C4'-P-C4' energy: -109.498 flat angles P-C4'-P energy: -53.294 tors. eta vs tors. theta energy: -135.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1537.881896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.881896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.881896 (E_RNA) where: Base-Base interactions energy: -1073.025 where: short stacking energy: -415.622 Base-Backbone interact. energy: 1.456 local terms energy: -466.313244 where: bonds (distance) C4'-P energy: -88.525 bonds (distance) P-C4' energy: -83.950 flat angles C4'-P-C4' energy: -96.639 flat angles P-C4'-P energy: -68.830 tors. eta vs tors. theta energy: -128.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1480.367601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.367601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.367601 (E_RNA) where: Base-Base interactions energy: -1020.575 where: short stacking energy: -404.649 Base-Backbone interact. energy: -1.063 local terms energy: -458.729586 where: bonds (distance) C4'-P energy: -91.358 bonds (distance) P-C4' energy: -87.190 flat angles C4'-P-C4' energy: -88.333 flat angles P-C4'-P energy: -61.456 tors. eta vs tors. theta energy: -130.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1269.887470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.887470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.887470 (E_RNA) where: Base-Base interactions energy: -862.857 where: short stacking energy: -364.096 Base-Backbone interact. energy: -2.134 local terms energy: -404.896408 where: bonds (distance) C4'-P energy: -83.517 bonds (distance) P-C4' energy: -76.453 flat angles C4'-P-C4' energy: -86.468 flat angles P-C4'-P energy: -49.502 tors. eta vs tors. theta energy: -108.958 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: 3 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1319.167392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.167392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.167392 (E_RNA) where: Base-Base interactions energy: -884.207 where: short stacking energy: -387.075 Base-Backbone interact. energy: -1.618 local terms energy: -433.342730 where: bonds (distance) C4'-P energy: -85.786 bonds (distance) P-C4' energy: -86.064 flat angles C4'-P-C4' energy: -85.247 flat angles P-C4'-P energy: -65.902 tors. eta vs tors. theta energy: -110.343 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: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1078.324867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.324867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.324867 (E_RNA) where: Base-Base interactions energy: -680.779 where: short stacking energy: -326.961 Base-Backbone interact. energy: -0.811 local terms energy: -396.734848 where: bonds (distance) C4'-P energy: -63.800 bonds (distance) P-C4' energy: -93.745 flat angles C4'-P-C4' energy: -98.284 flat angles P-C4'-P energy: -60.527 tors. eta vs tors. theta energy: -80.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -972.495053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.495053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.495053 (E_RNA) where: Base-Base interactions energy: -592.552 where: short stacking energy: -282.498 Base-Backbone interact. energy: 3.034 local terms energy: -382.977083 where: bonds (distance) C4'-P energy: -82.987 bonds (distance) P-C4' energy: -87.263 flat angles C4'-P-C4' energy: -94.680 flat angles P-C4'-P energy: -55.379 tors. eta vs tors. theta energy: -62.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -742.755337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.755337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.755337 (E_RNA) where: Base-Base interactions energy: -411.317 where: short stacking energy: -214.652 Base-Backbone interact. energy: 3.732 local terms energy: -335.169875 where: bonds (distance) C4'-P energy: -84.328 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -80.877 flat angles P-C4'-P energy: -45.078 tors. eta vs tors. theta energy: -38.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -539.946331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.946331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.946331 (E_RNA) where: Base-Base interactions energy: -272.525 where: short stacking energy: -164.940 Base-Backbone interact. energy: 0.825 local terms energy: -268.246685 where: bonds (distance) C4'-P energy: -80.557 bonds (distance) P-C4' energy: -81.147 flat angles C4'-P-C4' energy: -74.021 flat angles P-C4'-P energy: -30.437 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -373.132529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.132529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.132529 (E_RNA) where: Base-Base interactions energy: -128.865 where: short stacking energy: -111.068 Base-Backbone interact. energy: -2.772 local terms energy: -241.495221 where: bonds (distance) C4'-P energy: -75.371 bonds (distance) P-C4' energy: -89.583 flat angles C4'-P-C4' energy: -52.698 flat angles P-C4'-P energy: -36.689 tors. eta vs tors. theta energy: 12.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1575.941809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.941809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.941809 (E_RNA) where: Base-Base interactions energy: -1093.378 where: short stacking energy: -440.313 Base-Backbone interact. energy: -3.611 local terms energy: -478.953227 where: bonds (distance) C4'-P energy: -95.003 bonds (distance) P-C4' energy: -93.777 flat angles C4'-P-C4' energy: -98.791 flat angles P-C4'-P energy: -56.497 tors. eta vs tors. theta energy: -134.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1561.579745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.579745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.579745 (E_RNA) where: Base-Base interactions energy: -1071.381 where: short stacking energy: -444.589 Base-Backbone interact. energy: -1.149 local terms energy: -489.049384 where: bonds (distance) C4'-P energy: -83.395 bonds (distance) P-C4' energy: -90.963 flat angles C4'-P-C4' energy: -112.198 flat angles P-C4'-P energy: -72.925 tors. eta vs tors. theta energy: -129.568 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: 3, replica: 4 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1474.809485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.809485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.809485 (E_RNA) where: Base-Base interactions energy: -1029.786 where: short stacking energy: -396.908 Base-Backbone interact. energy: 2.373 local terms energy: -447.395867 where: bonds (distance) C4'-P energy: -92.153 bonds (distance) P-C4' energy: -73.971 flat angles C4'-P-C4' energy: -96.501 flat angles P-C4'-P energy: -64.273 tors. eta vs tors. theta energy: -120.498 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: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1409.912220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.912220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.912220 (E_RNA) where: Base-Base interactions energy: -954.492 where: short stacking energy: -401.038 Base-Backbone interact. energy: 0.603 local terms energy: -456.023350 where: bonds (distance) C4'-P energy: -72.895 bonds (distance) P-C4' energy: -89.265 flat angles C4'-P-C4' energy: -103.424 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: -124.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1261.346992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.346992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.346992 (E_RNA) where: Base-Base interactions energy: -842.408 where: short stacking energy: -341.395 Base-Backbone interact. energy: 1.427 local terms energy: -420.365823 where: bonds (distance) C4'-P energy: -82.203 bonds (distance) P-C4' energy: -86.164 flat angles C4'-P-C4' energy: -93.002 flat angles P-C4'-P energy: -58.977 tors. eta vs tors. theta energy: -100.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1036.395712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.395712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.395712 (E_RNA) where: Base-Base interactions energy: -651.981 where: short stacking energy: -314.545 Base-Backbone interact. energy: -1.566 local terms energy: -382.848987 where: bonds (distance) C4'-P energy: -76.742 bonds (distance) P-C4' energy: -91.422 flat angles C4'-P-C4' energy: -89.022 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -78.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -953.016484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.016484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.016484 (E_RNA) where: Base-Base interactions energy: -603.154 where: short stacking energy: -274.536 Base-Backbone interact. energy: 0.997 local terms energy: -350.859836 where: bonds (distance) C4'-P energy: -66.546 bonds (distance) P-C4' energy: -81.813 flat angles C4'-P-C4' energy: -87.252 flat angles P-C4'-P energy: -48.546 tors. eta vs tors. theta energy: -66.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -741.285157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.285157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.285157 (E_RNA) where: Base-Base interactions energy: -457.899 where: short stacking energy: -199.943 Base-Backbone interact. energy: -1.816 local terms energy: -281.570047 where: bonds (distance) C4'-P energy: -73.587 bonds (distance) P-C4' energy: -76.665 flat angles C4'-P-C4' energy: -72.352 flat angles P-C4'-P energy: -45.251 tors. eta vs tors. theta energy: -13.715 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: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -583.613805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.613805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.613805 (E_RNA) where: Base-Base interactions energy: -291.642 where: short stacking energy: -157.870 Base-Backbone interact. energy: 4.356 local terms energy: -296.328251 where: bonds (distance) C4'-P energy: -72.139 bonds (distance) P-C4' energy: -75.910 flat angles C4'-P-C4' energy: -76.734 flat angles P-C4'-P energy: -63.303 tors. eta vs tors. theta energy: -8.242 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: 9 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -360.876289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.876289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.876289 (E_RNA) where: Base-Base interactions energy: -119.962 where: short stacking energy: -91.464 Base-Backbone interact. energy: -1.953 local terms energy: -238.961277 where: bonds (distance) C4'-P energy: -74.616 bonds (distance) P-C4' energy: -77.657 flat angles C4'-P-C4' energy: -69.940 flat angles P-C4'-P energy: -28.552 tors. eta vs tors. theta energy: 11.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1573.301528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.301528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.301528 (E_RNA) where: Base-Base interactions energy: -1079.276 where: short stacking energy: -443.124 Base-Backbone interact. energy: -2.051 local terms energy: -491.975390 where: bonds (distance) C4'-P energy: -100.338 bonds (distance) P-C4' energy: -84.474 flat angles C4'-P-C4' energy: -107.020 flat angles P-C4'-P energy: -66.291 tors. eta vs tors. theta energy: -133.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1545.310886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.310886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.310886 (E_RNA) where: Base-Base interactions energy: -1077.321 where: short stacking energy: -428.789 Base-Backbone interact. energy: -1.546 local terms energy: -466.443565 where: bonds (distance) C4'-P energy: -89.520 bonds (distance) P-C4' energy: -86.508 flat angles C4'-P-C4' energy: -91.537 flat angles P-C4'-P energy: -65.276 tors. eta vs tors. theta energy: -133.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1422.423663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.423663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.423663 (E_RNA) where: Base-Base interactions energy: -979.498 where: short stacking energy: -424.466 Base-Backbone interact. energy: -1.372 local terms energy: -441.554518 where: bonds (distance) C4'-P energy: -81.188 bonds (distance) P-C4' energy: -83.292 flat angles C4'-P-C4' energy: -96.938 flat angles P-C4'-P energy: -62.812 tors. eta vs tors. theta energy: -117.324 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: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1465.010180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.010180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.010180 (E_RNA) where: Base-Base interactions energy: -1004.069 where: short stacking energy: -405.973 Base-Backbone interact. energy: -2.907 local terms energy: -458.033527 where: bonds (distance) C4'-P energy: -81.319 bonds (distance) P-C4' energy: -78.078 flat angles C4'-P-C4' energy: -99.875 flat angles P-C4'-P energy: -70.771 tors. eta vs tors. theta energy: -127.990 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: 240 Temperature: 1.100000 Total energy: -1261.386343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.386343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.386343 (E_RNA) where: Base-Base interactions energy: -847.731 where: short stacking energy: -352.763 Base-Backbone interact. energy: -2.934 local terms energy: -410.720837 where: bonds (distance) C4'-P energy: -68.863 bonds (distance) P-C4' energy: -78.096 flat angles C4'-P-C4' energy: -90.297 flat angles P-C4'-P energy: -71.367 tors. eta vs tors. theta energy: -102.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1056.905608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.905608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.905608 (E_RNA) where: Base-Base interactions energy: -681.149 where: short stacking energy: -329.000 Base-Backbone interact. energy: -0.457 local terms energy: -375.298960 where: bonds (distance) C4'-P energy: -66.261 bonds (distance) P-C4' energy: -75.722 flat angles C4'-P-C4' energy: -94.979 flat angles P-C4'-P energy: -58.043 tors. eta vs tors. theta energy: -80.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -954.169458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.169458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.169458 (E_RNA) where: Base-Base interactions energy: -627.382 where: short stacking energy: -289.557 Base-Backbone interact. energy: 0.668 local terms energy: -327.455623 where: bonds (distance) C4'-P energy: -56.389 bonds (distance) P-C4' energy: -80.989 flat angles C4'-P-C4' energy: -71.343 flat angles P-C4'-P energy: -59.760 tors. eta vs tors. theta energy: -58.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -747.763723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.763723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.763723 (E_RNA) where: Base-Base interactions energy: -454.394 where: short stacking energy: -204.849 Base-Backbone interact. energy: 1.464 local terms energy: -294.833781 where: bonds (distance) C4'-P energy: -71.046 bonds (distance) P-C4' energy: -85.340 flat angles C4'-P-C4' energy: -74.607 flat angles P-C4'-P energy: -38.775 tors. eta vs tors. theta energy: -25.066 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: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -571.645411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.645411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.645411 (E_RNA) where: Base-Base interactions energy: -278.512 where: short stacking energy: -146.998 Base-Backbone interact. energy: -0.671 local terms energy: -292.462764 where: bonds (distance) C4'-P energy: -77.000 bonds (distance) P-C4' energy: -95.175 flat angles C4'-P-C4' energy: -75.243 flat angles P-C4'-P energy: -33.533 tors. eta vs tors. theta energy: -11.512 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: 9 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -369.539795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.539795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.539795 (E_RNA) where: Base-Base interactions energy: -146.944 where: short stacking energy: -116.267 Base-Backbone interact. energy: 0.323 local terms energy: -222.918402 where: bonds (distance) C4'-P energy: -63.512 bonds (distance) P-C4' energy: -60.508 flat angles C4'-P-C4' energy: -75.763 flat angles P-C4'-P energy: -39.782 tors. eta vs tors. theta energy: 16.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1568.834444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.834444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.834444 (E_RNA) where: Base-Base interactions energy: -1093.212 where: short stacking energy: -441.954 Base-Backbone interact. energy: -1.432 local terms energy: -474.191263 where: bonds (distance) C4'-P energy: -87.714 bonds (distance) P-C4' energy: -88.668 flat angles C4'-P-C4' energy: -97.174 flat angles P-C4'-P energy: -71.183 tors. eta vs tors. theta energy: -129.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1542.360747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.360747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.360747 (E_RNA) where: Base-Base interactions energy: -1060.950 where: short stacking energy: -426.544 Base-Backbone interact. energy: -2.493 local terms energy: -478.917671 where: bonds (distance) C4'-P energy: -83.172 bonds (distance) P-C4' energy: -95.814 flat angles C4'-P-C4' energy: -100.733 flat angles P-C4'-P energy: -72.754 tors. eta vs tors. theta energy: -126.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1431.851692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.851692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.851692 (E_RNA) where: Base-Base interactions energy: -982.007 where: short stacking energy: -404.875 Base-Backbone interact. energy: -3.017 local terms energy: -446.828038 where: bonds (distance) C4'-P energy: -96.560 bonds (distance) P-C4' energy: -70.896 flat angles C4'-P-C4' energy: -94.175 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -120.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1419.938876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.938876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.938876 (E_RNA) where: Base-Base interactions energy: -977.165 where: short stacking energy: -404.838 Base-Backbone interact. energy: -0.190 local terms energy: -442.583849 where: bonds (distance) C4'-P energy: -75.050 bonds (distance) P-C4' energy: -86.473 flat angles C4'-P-C4' energy: -95.329 flat angles P-C4'-P energy: -57.524 tors. eta vs tors. theta energy: -128.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1239.976895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.976895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.976895 (E_RNA) where: Base-Base interactions energy: -845.964 where: short stacking energy: -359.839 Base-Backbone interact. energy: 2.566 local terms energy: -396.578780 where: bonds (distance) C4'-P energy: -76.292 bonds (distance) P-C4' energy: -71.776 flat angles C4'-P-C4' energy: -85.323 flat angles P-C4'-P energy: -60.312 tors. eta vs tors. theta energy: -102.876 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: 1 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1032.347695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.347695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.347695 (E_RNA) where: Base-Base interactions energy: -656.337 where: short stacking energy: -290.555 Base-Backbone interact. energy: -1.909 local terms energy: -374.101330 where: bonds (distance) C4'-P energy: -62.601 bonds (distance) P-C4' energy: -83.478 flat angles C4'-P-C4' energy: -94.489 flat angles P-C4'-P energy: -67.202 tors. eta vs tors. theta energy: -66.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -951.963933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.963933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.963933 (E_RNA) where: Base-Base interactions energy: -599.661 where: short stacking energy: -274.495 Base-Backbone interact. energy: 3.189 local terms energy: -355.491572 where: bonds (distance) C4'-P energy: -69.529 bonds (distance) P-C4' energy: -78.358 flat angles C4'-P-C4' energy: -90.001 flat angles P-C4'-P energy: -52.579 tors. eta vs tors. theta energy: -65.026 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: 7 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -595.634961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.634961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.634961 (E_RNA) where: Base-Base interactions energy: -327.541 where: short stacking energy: -162.472 Base-Backbone interact. energy: -2.984 local terms energy: -265.110781 where: bonds (distance) C4'-P energy: -67.629 bonds (distance) P-C4' energy: -80.351 flat angles C4'-P-C4' energy: -72.929 flat angles P-C4'-P energy: -37.034 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -743.310709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.310709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.310709 (E_RNA) where: Base-Base interactions energy: -431.684 where: short stacking energy: -180.425 Base-Backbone interact. energy: -2.870 local terms energy: -308.756575 where: bonds (distance) C4'-P energy: -76.791 bonds (distance) P-C4' energy: -78.153 flat angles C4'-P-C4' energy: -79.539 flat angles P-C4'-P energy: -47.807 tors. eta vs tors. theta energy: -26.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -371.231067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.231067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.231067 (E_RNA) where: Base-Base interactions energy: -118.542 where: short stacking energy: -93.456 Base-Backbone interact. energy: 6.731 local terms energy: -259.420849 where: bonds (distance) C4'-P energy: -92.339 bonds (distance) P-C4' energy: -80.607 flat angles C4'-P-C4' energy: -68.487 flat angles P-C4'-P energy: -27.870 tors. eta vs tors. theta energy: 9.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1583.217121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.217121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.217121 (E_RNA) where: Base-Base interactions energy: -1094.142 where: short stacking energy: -441.030 Base-Backbone interact. energy: 7.144 local terms energy: -496.218520 where: bonds (distance) C4'-P energy: -91.933 bonds (distance) P-C4' energy: -98.806 flat angles C4'-P-C4' energy: -104.373 flat angles P-C4'-P energy: -71.673 tors. eta vs tors. theta energy: -129.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1524.786084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.786084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.786084 (E_RNA) where: Base-Base interactions energy: -1061.419 where: short stacking energy: -433.126 Base-Backbone interact. energy: -0.231 local terms energy: -463.135594 where: bonds (distance) C4'-P energy: -87.507 bonds (distance) P-C4' energy: -97.887 flat angles C4'-P-C4' energy: -97.187 flat angles P-C4'-P energy: -58.063 tors. eta vs tors. theta energy: -122.491 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: 3, replica: 4 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1454.246422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.246422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.246422 (E_RNA) where: Base-Base interactions energy: -1002.461 where: short stacking energy: -418.072 Base-Backbone interact. energy: 0.310 local terms energy: -452.095814 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -81.539 flat angles C4'-P-C4' energy: -102.008 flat angles P-C4'-P energy: -56.201 tors. eta vs tors. theta energy: -127.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1380.148563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.148563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.148563 (E_RNA) where: Base-Base interactions energy: -927.644 where: short stacking energy: -379.379 Base-Backbone interact. energy: -0.007 local terms energy: -452.497510 where: bonds (distance) C4'-P energy: -89.096 bonds (distance) P-C4' energy: -84.454 flat angles C4'-P-C4' energy: -107.447 flat angles P-C4'-P energy: -66.694 tors. eta vs tors. theta energy: -104.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1234.895360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.895360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.895360 (E_RNA) where: Base-Base interactions energy: -828.322 where: short stacking energy: -353.697 Base-Backbone interact. energy: -0.128 local terms energy: -406.445917 where: bonds (distance) C4'-P energy: -77.440 bonds (distance) P-C4' energy: -83.437 flat angles C4'-P-C4' energy: -95.325 flat angles P-C4'-P energy: -54.056 tors. eta vs tors. theta energy: -96.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1028.720096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.720096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.720096 (E_RNA) where: Base-Base interactions energy: -638.578 where: short stacking energy: -296.013 Base-Backbone interact. energy: 3.587 local terms energy: -393.729304 where: bonds (distance) C4'-P energy: -87.938 bonds (distance) P-C4' energy: -91.604 flat angles C4'-P-C4' energy: -88.608 flat angles P-C4'-P energy: -50.702 tors. eta vs tors. theta energy: -74.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -926.689058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.689058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.689058 (E_RNA) where: Base-Base interactions energy: -595.945 where: short stacking energy: -266.037 Base-Backbone interact. energy: 0.322 local terms energy: -331.066553 where: bonds (distance) C4'-P energy: -66.903 bonds (distance) P-C4' energy: -72.498 flat angles C4'-P-C4' energy: -78.304 flat angles P-C4'-P energy: -55.645 tors. eta vs tors. theta energy: -57.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -653.299333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.299333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.299333 (E_RNA) where: Base-Base interactions energy: -357.394 where: short stacking energy: -188.053 Base-Backbone interact. energy: -1.155 local terms energy: -294.750724 where: bonds (distance) C4'-P energy: -78.627 bonds (distance) P-C4' energy: -82.954 flat angles C4'-P-C4' energy: -72.304 flat angles P-C4'-P energy: -28.068 tors. eta vs tors. theta energy: -32.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -719.559867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.559867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.559867 (E_RNA) where: Base-Base interactions energy: -454.478 where: short stacking energy: -214.603 Base-Backbone interact. energy: -2.524 local terms energy: -262.557850 where: bonds (distance) C4'-P energy: -64.898 bonds (distance) P-C4' energy: -61.727 flat angles C4'-P-C4' energy: -66.640 flat angles P-C4'-P energy: -36.212 tors. eta vs tors. theta energy: -33.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -353.692420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.692420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.692420 (E_RNA) where: Base-Base interactions energy: -126.209 where: short stacking energy: -107.527 Base-Backbone interact. energy: 1.364 local terms energy: -228.847501 where: bonds (distance) C4'-P energy: -65.023 bonds (distance) P-C4' energy: -85.911 flat angles C4'-P-C4' energy: -58.765 flat angles P-C4'-P energy: -23.326 tors. eta vs tors. theta energy: 4.178 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: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1557.390674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.390674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.390674 (E_RNA) where: Base-Base interactions energy: -1083.249 where: short stacking energy: -466.257 Base-Backbone interact. energy: -2.595 local terms energy: -471.546892 where: bonds (distance) C4'-P energy: -83.022 bonds (distance) P-C4' energy: -85.364 flat angles C4'-P-C4' energy: -96.590 flat angles P-C4'-P energy: -68.265 tors. eta vs tors. theta energy: -138.306 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: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1534.215868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.215868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.215868 (E_RNA) where: Base-Base interactions energy: -1080.882 where: short stacking energy: -435.540 Base-Backbone interact. energy: -1.385 local terms energy: -451.948648 where: bonds (distance) C4'-P energy: -84.351 bonds (distance) P-C4' energy: -83.244 flat angles C4'-P-C4' energy: -96.756 flat angles P-C4'-P energy: -62.136 tors. eta vs tors. theta energy: -125.461 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: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1467.672313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.672313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.672313 (E_RNA) where: Base-Base interactions energy: -1004.274 where: short stacking energy: -414.122 Base-Backbone interact. energy: -3.466 local terms energy: -459.932472 where: bonds (distance) C4'-P energy: -92.191 bonds (distance) P-C4' energy: -85.329 flat angles C4'-P-C4' energy: -103.473 flat angles P-C4'-P energy: -59.026 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: 4, replica: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1385.815641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.815641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.815641 (E_RNA) where: Base-Base interactions energy: -937.137 where: short stacking energy: -386.561 Base-Backbone interact. energy: 0.763 local terms energy: -449.442302 where: bonds (distance) C4'-P energy: -89.263 bonds (distance) P-C4' energy: -85.870 flat angles C4'-P-C4' energy: -94.151 flat angles P-C4'-P energy: -61.529 tors. eta vs tors. theta energy: -118.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1252.569930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.569930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.569930 (E_RNA) where: Base-Base interactions energy: -838.551 where: short stacking energy: -344.202 Base-Backbone interact. energy: -2.061 local terms energy: -411.958133 where: bonds (distance) C4'-P energy: -81.757 bonds (distance) P-C4' energy: -87.061 flat angles C4'-P-C4' energy: -93.255 flat angles P-C4'-P energy: -51.163 tors. eta vs tors. theta energy: -98.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1054.885085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.885085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.885085 (E_RNA) where: Base-Base interactions energy: -695.479 where: short stacking energy: -298.559 Base-Backbone interact. energy: 0.716 local terms energy: -360.122414 where: bonds (distance) C4'-P energy: -81.839 bonds (distance) P-C4' energy: -83.241 flat angles C4'-P-C4' energy: -82.429 flat angles P-C4'-P energy: -53.943 tors. eta vs tors. theta energy: -58.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1025.554918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.554918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.554918 (E_RNA) where: Base-Base interactions energy: -667.987 where: short stacking energy: -312.886 Base-Backbone interact. energy: -1.305 local terms energy: -356.262791 where: bonds (distance) C4'-P energy: -71.195 bonds (distance) P-C4' energy: -72.337 flat angles C4'-P-C4' energy: -73.320 flat angles P-C4'-P energy: -58.891 tors. eta vs tors. theta energy: -80.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -795.103132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.103132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.103132 (E_RNA) where: Base-Base interactions energy: -497.484 where: short stacking energy: -231.484 Base-Backbone interact. energy: 4.941 local terms energy: -302.560325 where: bonds (distance) C4'-P energy: -75.573 bonds (distance) P-C4' energy: -62.149 flat angles C4'-P-C4' energy: -81.132 flat angles P-C4'-P energy: -47.264 tors. eta vs tors. theta energy: -36.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -540.741783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.741783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.741783 (E_RNA) where: Base-Base interactions energy: -287.025 where: short stacking energy: -149.601 Base-Backbone interact. energy: 1.293 local terms energy: -255.009751 where: bonds (distance) C4'-P energy: -74.658 bonds (distance) P-C4' energy: -91.360 flat angles C4'-P-C4' energy: -63.067 flat angles P-C4'-P energy: -33.545 tors. eta vs tors. theta energy: 7.620 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: 243 Temperature: 1.350000 Total energy: -379.219579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.219579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.219579 (E_RNA) where: Base-Base interactions energy: -151.216 where: short stacking energy: -106.253 Base-Backbone interact. energy: 0.541 local terms energy: -228.544581 where: bonds (distance) C4'-P energy: -71.730 bonds (distance) P-C4' energy: -81.575 flat angles C4'-P-C4' energy: -54.038 flat angles P-C4'-P energy: -32.847 tors. eta vs tors. theta energy: 11.646 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: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1569.096902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.096902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.096902 (E_RNA) where: Base-Base interactions energy: -1068.415 where: short stacking energy: -443.611 Base-Backbone interact. energy: -3.246 local terms energy: -497.436220 where: bonds (distance) C4'-P energy: -83.280 bonds (distance) P-C4' energy: -90.436 flat angles C4'-P-C4' energy: -110.485 flat angles P-C4'-P energy: -79.892 tors. eta vs tors. theta energy: -133.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1545.986112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.986112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.986112 (E_RNA) where: Base-Base interactions energy: -1057.008 where: short stacking energy: -434.194 Base-Backbone interact. energy: -1.098 local terms energy: -487.880354 where: bonds (distance) C4'-P energy: -90.640 bonds (distance) P-C4' energy: -91.877 flat angles C4'-P-C4' energy: -105.029 flat angles P-C4'-P energy: -71.757 tors. eta vs tors. theta energy: -128.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1434.181228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.181228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.181228 (E_RNA) where: Base-Base interactions energy: -961.800 where: short stacking energy: -399.022 Base-Backbone interact. energy: 1.858 local terms energy: -474.239312 where: bonds (distance) C4'-P energy: -81.739 bonds (distance) P-C4' energy: -88.815 flat angles C4'-P-C4' energy: -108.526 flat angles P-C4'-P energy: -63.905 tors. eta vs tors. theta energy: -131.254 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: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1419.715779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.715779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.715779 (E_RNA) where: Base-Base interactions energy: -961.544 where: short stacking energy: -404.648 Base-Backbone interact. energy: -0.525 local terms energy: -457.646449 where: bonds (distance) C4'-P energy: -79.154 bonds (distance) P-C4' energy: -93.846 flat angles C4'-P-C4' energy: -102.138 flat angles P-C4'-P energy: -59.416 tors. eta vs tors. theta energy: -123.092 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: 244 Temperature: 1.100000 Total energy: -1203.986606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.986606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.986606 (E_RNA) where: Base-Base interactions energy: -792.777 where: short stacking energy: -351.668 Base-Backbone interact. energy: 2.388 local terms energy: -413.597683 where: bonds (distance) C4'-P energy: -93.266 bonds (distance) P-C4' energy: -80.676 flat angles C4'-P-C4' energy: -93.263 flat angles P-C4'-P energy: -51.159 tors. eta vs tors. theta energy: -95.234 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: 244 Temperature: 1.150000 Total energy: -1028.680733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.680733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.680733 (E_RNA) where: Base-Base interactions energy: -657.968 where: short stacking energy: -319.605 Base-Backbone interact. energy: -0.501 local terms energy: -370.212198 where: bonds (distance) C4'-P energy: -51.866 bonds (distance) P-C4' energy: -91.189 flat angles C4'-P-C4' energy: -79.500 flat angles P-C4'-P energy: -61.913 tors. eta vs tors. theta energy: -85.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1001.783125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.783125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.783125 (E_RNA) where: Base-Base interactions energy: -652.188 where: short stacking energy: -294.451 Base-Backbone interact. energy: -0.941 local terms energy: -348.653832 where: bonds (distance) C4'-P energy: -59.817 bonds (distance) P-C4' energy: -74.237 flat angles C4'-P-C4' energy: -80.566 flat angles P-C4'-P energy: -54.990 tors. eta vs tors. theta energy: -79.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -813.917351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.917351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.917351 (E_RNA) where: Base-Base interactions energy: -497.321 where: short stacking energy: -226.425 Base-Backbone interact. energy: -4.594 local terms energy: -312.001758 where: bonds (distance) C4'-P energy: -62.958 bonds (distance) P-C4' energy: -93.126 flat angles C4'-P-C4' energy: -71.778 flat angles P-C4'-P energy: -50.257 tors. eta vs tors. theta energy: -33.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -542.094607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.094607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.094607 (E_RNA) where: Base-Base interactions energy: -286.643 where: short stacking energy: -159.661 Base-Backbone interact. energy: -0.522 local terms energy: -254.929775 where: bonds (distance) C4'-P energy: -70.531 bonds (distance) P-C4' energy: -77.138 flat angles C4'-P-C4' energy: -68.975 flat angles P-C4'-P energy: -27.985 tors. eta vs tors. theta energy: -10.301 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: 244 Temperature: 1.350000 Total energy: -379.196188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.196188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.196188 (E_RNA) where: Base-Base interactions energy: -148.226 where: short stacking energy: -84.527 Base-Backbone interact. energy: 0.865 local terms energy: -231.835800 where: bonds (distance) C4'-P energy: -64.749 bonds (distance) P-C4' energy: -75.910 flat angles C4'-P-C4' energy: -65.157 flat angles P-C4'-P energy: -47.940 tors. eta vs tors. theta energy: 21.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1577.333887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.333887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.333887 (E_RNA) where: Base-Base interactions energy: -1076.851 where: short stacking energy: -442.158 Base-Backbone interact. energy: -1.434 local terms energy: -499.048368 where: bonds (distance) C4'-P energy: -90.445 bonds (distance) P-C4' energy: -92.093 flat angles C4'-P-C4' energy: -100.682 flat angles P-C4'-P energy: -72.247 tors. eta vs tors. theta energy: -143.582 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: 245 Temperature: 0.950000 Total energy: -1531.458772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.458772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.458772 (E_RNA) where: Base-Base interactions energy: -1061.517 where: short stacking energy: -424.834 Base-Backbone interact. energy: -0.961 local terms energy: -468.981345 where: bonds (distance) C4'-P energy: -84.360 bonds (distance) P-C4' energy: -80.012 flat angles C4'-P-C4' energy: -106.927 flat angles P-C4'-P energy: -72.663 tors. eta vs tors. theta energy: -125.020 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: 4 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1487.380392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.380392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.380392 (E_RNA) where: Base-Base interactions energy: -1019.482 where: short stacking energy: -403.892 Base-Backbone interact. energy: -1.482 local terms energy: -466.416326 where: bonds (distance) C4'-P energy: -84.411 bonds (distance) P-C4' energy: -92.528 flat angles C4'-P-C4' energy: -100.187 flat angles P-C4'-P energy: -59.018 tors. eta vs tors. theta energy: -130.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1403.099374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.099374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.099374 (E_RNA) where: Base-Base interactions energy: -963.940 where: short stacking energy: -394.696 Base-Backbone interact. energy: 0.611 local terms energy: -439.769924 where: bonds (distance) C4'-P energy: -86.715 bonds (distance) P-C4' energy: -91.858 flat angles C4'-P-C4' energy: -91.800 flat angles P-C4'-P energy: -53.983 tors. eta vs tors. theta energy: -115.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1279.446758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.446758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.446758 (E_RNA) where: Base-Base interactions energy: -843.304 where: short stacking energy: -381.210 Base-Backbone interact. energy: 0.721 local terms energy: -436.863958 where: bonds (distance) C4'-P energy: -83.107 bonds (distance) P-C4' energy: -72.964 flat angles C4'-P-C4' energy: -88.675 flat angles P-C4'-P energy: -69.258 tors. eta vs tors. theta energy: -122.860 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: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1055.935320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.935320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.935320 (E_RNA) where: Base-Base interactions energy: -667.572 where: short stacking energy: -296.975 Base-Backbone interact. energy: -2.791 local terms energy: -385.571976 where: bonds (distance) C4'-P energy: -76.502 bonds (distance) P-C4' energy: -80.470 flat angles C4'-P-C4' energy: -85.287 flat angles P-C4'-P energy: -63.262 tors. eta vs tors. theta energy: -80.051 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: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1021.230805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.230805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.230805 (E_RNA) where: Base-Base interactions energy: -660.872 where: short stacking energy: -289.814 Base-Backbone interact. energy: 4.902 local terms energy: -365.260624 where: bonds (distance) C4'-P energy: -78.166 bonds (distance) P-C4' energy: -79.926 flat angles C4'-P-C4' energy: -90.051 flat angles P-C4'-P energy: -52.367 tors. eta vs tors. theta energy: -64.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -769.734434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.734434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.734434 (E_RNA) where: Base-Base interactions energy: -467.825 where: short stacking energy: -229.844 Base-Backbone interact. energy: -1.640 local terms energy: -300.269271 where: bonds (distance) C4'-P energy: -70.448 bonds (distance) P-C4' energy: -66.710 flat angles C4'-P-C4' energy: -65.154 flat angles P-C4'-P energy: -50.333 tors. eta vs tors. theta energy: -47.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -543.453911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.453911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.453911 (E_RNA) where: Base-Base interactions energy: -286.160 where: short stacking energy: -161.825 Base-Backbone interact. energy: 0.509 local terms energy: -257.802594 where: bonds (distance) C4'-P energy: -83.235 bonds (distance) P-C4' energy: -73.263 flat angles C4'-P-C4' energy: -66.343 flat angles P-C4'-P energy: -37.289 tors. eta vs tors. theta energy: 2.327 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: 9 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -404.268161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.268161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.268161 (E_RNA) where: Base-Base interactions energy: -168.583 where: short stacking energy: -132.868 Base-Backbone interact. energy: 1.452 local terms energy: -237.137601 where: bonds (distance) C4'-P energy: -83.086 bonds (distance) P-C4' energy: -71.863 flat angles C4'-P-C4' energy: -62.773 flat angles P-C4'-P energy: -29.335 tors. eta vs tors. theta energy: 9.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1582.387458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.387458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.387458 (E_RNA) where: Base-Base interactions energy: -1090.228 where: short stacking energy: -455.654 Base-Backbone interact. energy: -0.633 local terms energy: -491.526410 where: bonds (distance) C4'-P energy: -82.722 bonds (distance) P-C4' energy: -100.173 flat angles C4'-P-C4' energy: -114.804 flat angles P-C4'-P energy: -65.467 tors. eta vs tors. theta energy: -128.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1559.454335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.454335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.454335 (E_RNA) where: Base-Base interactions energy: -1067.549 where: short stacking energy: -429.585 Base-Backbone interact. energy: -3.566 local terms energy: -488.339105 where: bonds (distance) C4'-P energy: -84.746 bonds (distance) P-C4' energy: -94.104 flat angles C4'-P-C4' energy: -109.455 flat angles P-C4'-P energy: -68.627 tors. eta vs tors. theta energy: -131.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1480.416772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.416772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.416772 (E_RNA) where: Base-Base interactions energy: -1020.804 where: short stacking energy: -417.665 Base-Backbone interact. energy: 2.153 local terms energy: -461.766170 where: bonds (distance) C4'-P energy: -86.738 bonds (distance) P-C4' energy: -81.424 flat angles C4'-P-C4' energy: -97.839 flat angles P-C4'-P energy: -67.924 tors. eta vs tors. theta energy: -127.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1374.836457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.836457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.836457 (E_RNA) where: Base-Base interactions energy: -938.765 where: short stacking energy: -386.446 Base-Backbone interact. energy: 2.070 local terms energy: -438.141398 where: bonds (distance) C4'-P energy: -80.252 bonds (distance) P-C4' energy: -82.904 flat angles C4'-P-C4' energy: -100.536 flat angles P-C4'-P energy: -63.612 tors. eta vs tors. theta energy: -110.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1254.394287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.394287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.394287 (E_RNA) where: Base-Base interactions energy: -830.302 where: short stacking energy: -371.791 Base-Backbone interact. energy: 0.858 local terms energy: -424.949873 where: bonds (distance) C4'-P energy: -73.887 bonds (distance) P-C4' energy: -79.122 flat angles C4'-P-C4' energy: -96.974 flat angles P-C4'-P energy: -65.623 tors. eta vs tors. theta energy: -109.344 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: 246 Temperature: 1.150000 Total energy: -1032.946121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.946121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.946121 (E_RNA) where: Base-Base interactions energy: -665.203 where: short stacking energy: -312.447 Base-Backbone interact. energy: -1.413 local terms energy: -366.329722 where: bonds (distance) C4'-P energy: -74.168 bonds (distance) P-C4' energy: -75.296 flat angles C4'-P-C4' energy: -88.847 flat angles P-C4'-P energy: -52.641 tors. eta vs tors. theta energy: -75.379 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: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1021.741513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.741513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.741513 (E_RNA) where: Base-Base interactions energy: -655.235 where: short stacking energy: -284.519 Base-Backbone interact. energy: -0.065 local terms energy: -366.441011 where: bonds (distance) C4'-P energy: -85.125 bonds (distance) P-C4' energy: -70.447 flat angles C4'-P-C4' energy: -84.240 flat angles P-C4'-P energy: -52.961 tors. eta vs tors. theta energy: -73.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -743.346977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.346977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.346977 (E_RNA) where: Base-Base interactions energy: -436.773 where: short stacking energy: -203.923 Base-Backbone interact. energy: 1.210 local terms energy: -307.784247 where: bonds (distance) C4'-P energy: -81.432 bonds (distance) P-C4' energy: -76.388 flat angles C4'-P-C4' energy: -67.053 flat angles P-C4'-P energy: -41.812 tors. eta vs tors. theta energy: -41.099 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: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -633.184277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.184277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.184277 (E_RNA) where: Base-Base interactions energy: -358.358 where: short stacking energy: -195.493 Base-Backbone interact. energy: -2.835 local terms energy: -271.991333 where: bonds (distance) C4'-P energy: -81.368 bonds (distance) P-C4' energy: -79.210 flat angles C4'-P-C4' energy: -50.617 flat angles P-C4'-P energy: -44.357 tors. eta vs tors. theta energy: -16.439 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: 9 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -435.019030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.019030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.019030 (E_RNA) where: Base-Base interactions energy: -165.936 where: short stacking energy: -131.654 Base-Backbone interact. energy: -2.666 local terms energy: -266.416783 where: bonds (distance) C4'-P energy: -81.635 bonds (distance) P-C4' energy: -89.056 flat angles C4'-P-C4' energy: -57.586 flat angles P-C4'-P energy: -40.099 tors. eta vs tors. theta energy: 1.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1574.842542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.842542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.842542 (E_RNA) where: Base-Base interactions energy: -1101.940 where: short stacking energy: -462.493 Base-Backbone interact. energy: 5.735 local terms energy: -478.636884 where: bonds (distance) C4'-P energy: -86.103 bonds (distance) P-C4' energy: -87.403 flat angles C4'-P-C4' energy: -102.308 flat angles P-C4'-P energy: -67.423 tors. eta vs tors. theta energy: -135.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1554.357923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.357923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.357923 (E_RNA) where: Base-Base interactions energy: -1068.710 where: short stacking energy: -430.352 Base-Backbone interact. energy: -2.766 local terms energy: -482.881996 where: bonds (distance) C4'-P energy: -85.142 bonds (distance) P-C4' energy: -93.823 flat angles C4'-P-C4' energy: -110.537 flat angles P-C4'-P energy: -65.456 tors. eta vs tors. theta energy: -127.924 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: 4 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1461.331534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.331534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.331534 (E_RNA) where: Base-Base interactions energy: -1007.750 where: short stacking energy: -406.374 Base-Backbone interact. energy: 1.412 local terms energy: -454.993149 where: bonds (distance) C4'-P energy: -87.864 bonds (distance) P-C4' energy: -85.770 flat angles C4'-P-C4' energy: -96.489 flat angles P-C4'-P energy: -61.535 tors. eta vs tors. theta energy: -123.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1376.455107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.455107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.455107 (E_RNA) where: Base-Base interactions energy: -928.410 where: short stacking energy: -392.767 Base-Backbone interact. energy: -0.605 local terms energy: -447.440599 where: bonds (distance) C4'-P energy: -65.772 bonds (distance) P-C4' energy: -85.958 flat angles C4'-P-C4' energy: -94.658 flat angles P-C4'-P energy: -82.914 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: 5, replica: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1282.713097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.713097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.713097 (E_RNA) where: Base-Base interactions energy: -859.976 where: short stacking energy: -386.128 Base-Backbone interact. energy: 0.496 local terms energy: -423.232691 where: bonds (distance) C4'-P energy: -62.516 bonds (distance) P-C4' energy: -95.439 flat angles C4'-P-C4' energy: -95.769 flat angles P-C4'-P energy: -56.234 tors. eta vs tors. theta energy: -113.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1023.998236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.998236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.998236 (E_RNA) where: Base-Base interactions energy: -636.460 where: short stacking energy: -302.992 Base-Backbone interact. energy: 0.226 local terms energy: -387.764050 where: bonds (distance) C4'-P energy: -85.849 bonds (distance) P-C4' energy: -92.755 flat angles C4'-P-C4' energy: -83.555 flat angles P-C4'-P energy: -53.218 tors. eta vs tors. theta energy: -72.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -934.018802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.018802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.018802 (E_RNA) where: Base-Base interactions energy: -570.945 where: short stacking energy: -268.601 Base-Backbone interact. energy: -0.993 local terms energy: -362.080325 where: bonds (distance) C4'-P energy: -79.013 bonds (distance) P-C4' energy: -92.338 flat angles C4'-P-C4' energy: -74.487 flat angles P-C4'-P energy: -41.978 tors. eta vs tors. theta energy: -74.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -720.029085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.029085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.029085 (E_RNA) where: Base-Base interactions energy: -436.045 where: short stacking energy: -207.039 Base-Backbone interact. energy: -1.682 local terms energy: -282.302502 where: bonds (distance) C4'-P energy: -69.389 bonds (distance) P-C4' energy: -80.682 flat angles C4'-P-C4' energy: -75.397 flat angles P-C4'-P energy: -42.649 tors. eta vs tors. theta energy: -14.185 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: 7 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -578.412384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.412384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.412384 (E_RNA) where: Base-Base interactions energy: -313.202 where: short stacking energy: -170.463 Base-Backbone interact. energy: -2.169 local terms energy: -263.041169 where: bonds (distance) C4'-P energy: -70.434 bonds (distance) P-C4' energy: -80.383 flat angles C4'-P-C4' energy: -77.376 flat angles P-C4'-P energy: -32.123 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -362.440192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.440192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.440192 (E_RNA) where: Base-Base interactions energy: -150.754 where: short stacking energy: -93.349 Base-Backbone interact. energy: 0.101 local terms energy: -211.787072 where: bonds (distance) C4'-P energy: -50.855 bonds (distance) P-C4' energy: -71.251 flat angles C4'-P-C4' energy: -67.887 flat angles P-C4'-P energy: -37.449 tors. eta vs tors. theta energy: 15.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1582.365838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.365838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.365838 (E_RNA) where: Base-Base interactions energy: -1090.213 where: short stacking energy: -444.859 Base-Backbone interact. energy: -0.122 local terms energy: -492.030517 where: bonds (distance) C4'-P energy: -97.918 bonds (distance) P-C4' energy: -89.304 flat angles C4'-P-C4' energy: -104.994 flat angles P-C4'-P energy: -66.113 tors. eta vs tors. theta energy: -133.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1541.077670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.077670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.077670 (E_RNA) where: Base-Base interactions energy: -1073.054 where: short stacking energy: -440.994 Base-Backbone interact. energy: -1.896 local terms energy: -466.127033 where: bonds (distance) C4'-P energy: -82.876 bonds (distance) P-C4' energy: -72.766 flat angles C4'-P-C4' energy: -106.038 flat angles P-C4'-P energy: -74.274 tors. eta vs tors. theta energy: -130.173 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: 4 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1438.842071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.842071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.842071 (E_RNA) where: Base-Base interactions energy: -983.943 where: short stacking energy: -400.356 Base-Backbone interact. energy: -2.175 local terms energy: -452.724331 where: bonds (distance) C4'-P energy: -89.601 bonds (distance) P-C4' energy: -81.570 flat angles C4'-P-C4' energy: -87.092 flat angles P-C4'-P energy: -67.778 tors. eta vs tors. theta energy: -126.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1355.282511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.282511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.282511 (E_RNA) where: Base-Base interactions energy: -919.795 where: short stacking energy: -392.468 Base-Backbone interact. energy: -1.507 local terms energy: -433.980192 where: bonds (distance) C4'-P energy: -77.574 bonds (distance) P-C4' energy: -78.530 flat angles C4'-P-C4' energy: -96.098 flat angles P-C4'-P energy: -64.015 tors. eta vs tors. theta energy: -117.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1312.352990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.352990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.352990 (E_RNA) where: Base-Base interactions energy: -883.195 where: short stacking energy: -379.534 Base-Backbone interact. energy: -1.635 local terms energy: -427.522847 where: bonds (distance) C4'-P energy: -80.425 bonds (distance) P-C4' energy: -82.168 flat angles C4'-P-C4' energy: -88.723 flat angles P-C4'-P energy: -64.350 tors. eta vs tors. theta energy: -111.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -993.169694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.169694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.169694 (E_RNA) where: Base-Base interactions energy: -621.403 where: short stacking energy: -293.432 Base-Backbone interact. energy: -2.522 local terms energy: -369.244686 where: bonds (distance) C4'-P energy: -74.227 bonds (distance) P-C4' energy: -75.681 flat angles C4'-P-C4' energy: -80.611 flat angles P-C4'-P energy: -60.724 tors. eta vs tors. theta energy: -78.001 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: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -933.091664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.091664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.091664 (E_RNA) where: Base-Base interactions energy: -578.962 where: short stacking energy: -271.655 Base-Backbone interact. energy: -0.468 local terms energy: -353.661656 where: bonds (distance) C4'-P energy: -71.598 bonds (distance) P-C4' energy: -76.846 flat angles C4'-P-C4' energy: -83.005 flat angles P-C4'-P energy: -50.816 tors. eta vs tors. theta energy: -71.395 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: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -726.394111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.394111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.394111 (E_RNA) where: Base-Base interactions energy: -428.107 where: short stacking energy: -196.336 Base-Backbone interact. energy: -1.569 local terms energy: -296.718114 where: bonds (distance) C4'-P energy: -78.711 bonds (distance) P-C4' energy: -84.121 flat angles C4'-P-C4' energy: -71.139 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -15.395 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: 9, replica: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -580.357970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.357970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.357970 (E_RNA) where: Base-Base interactions energy: -291.646 where: short stacking energy: -158.983 Base-Backbone interact. energy: 3.366 local terms energy: -292.078646 where: bonds (distance) C4'-P energy: -76.674 bonds (distance) P-C4' energy: -78.244 flat angles C4'-P-C4' energy: -75.621 flat angles P-C4'-P energy: -43.092 tors. eta vs tors. theta energy: -18.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -357.995336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.995336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.995336 (E_RNA) where: Base-Base interactions energy: -128.518 where: short stacking energy: -97.228 Base-Backbone interact. energy: 3.667 local terms energy: -233.143833 where: bonds (distance) C4'-P energy: -60.741 bonds (distance) P-C4' energy: -83.038 flat angles C4'-P-C4' energy: -59.007 flat angles P-C4'-P energy: -38.235 tors. eta vs tors. theta energy: 7.877 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: 249 Temperature: 0.900000 Total energy: -1588.375836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.375836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.375836 (E_RNA) where: Base-Base interactions energy: -1122.924 where: short stacking energy: -465.670 Base-Backbone interact. energy: -1.359 local terms energy: -464.093245 where: bonds (distance) C4'-P energy: -81.876 bonds (distance) P-C4' energy: -78.320 flat angles C4'-P-C4' energy: -94.653 flat angles P-C4'-P energy: -75.507 tors. eta vs tors. theta energy: -133.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1555.623686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.623686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.623686 (E_RNA) where: Base-Base interactions energy: -1067.352 where: short stacking energy: -438.452 Base-Backbone interact. energy: -3.817 local terms energy: -484.455161 where: bonds (distance) C4'-P energy: -86.829 bonds (distance) P-C4' energy: -93.943 flat angles C4'-P-C4' energy: -94.951 flat angles P-C4'-P energy: -76.152 tors. eta vs tors. theta energy: -132.580 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: 4 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1455.703992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.703992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.703992 (E_RNA) where: Base-Base interactions energy: -993.410 where: short stacking energy: -392.785 Base-Backbone interact. energy: -4.115 local terms energy: -458.179245 where: bonds (distance) C4'-P energy: -87.381 bonds (distance) P-C4' energy: -72.717 flat angles C4'-P-C4' energy: -95.832 flat angles P-C4'-P energy: -81.223 tors. eta vs tors. theta energy: -121.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1380.570677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.570677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.570677 (E_RNA) where: Base-Base interactions energy: -945.078 where: short stacking energy: -385.797 Base-Backbone interact. energy: -3.181 local terms energy: -432.311805 where: bonds (distance) C4'-P energy: -66.461 bonds (distance) P-C4' energy: -95.982 flat angles C4'-P-C4' energy: -96.729 flat angles P-C4'-P energy: -50.432 tors. eta vs tors. theta energy: -122.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1299.666577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.666577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.666577 (E_RNA) where: Base-Base interactions energy: -858.063 where: short stacking energy: -376.526 Base-Backbone interact. energy: -1.056 local terms energy: -440.547167 where: bonds (distance) C4'-P energy: -87.584 bonds (distance) P-C4' energy: -82.906 flat angles C4'-P-C4' energy: -96.086 flat angles P-C4'-P energy: -69.372 tors. eta vs tors. theta energy: -104.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1011.391101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.391101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.391101 (E_RNA) where: Base-Base interactions energy: -620.996 where: short stacking energy: -283.776 Base-Backbone interact. energy: 0.237 local terms energy: -390.632251 where: bonds (distance) C4'-P energy: -91.559 bonds (distance) P-C4' energy: -90.619 flat angles C4'-P-C4' energy: -95.288 flat angles P-C4'-P energy: -62.294 tors. eta vs tors. theta energy: -50.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -912.402672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.402672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.402672 (E_RNA) where: Base-Base interactions energy: -570.324 where: short stacking energy: -250.386 Base-Backbone interact. energy: -2.689 local terms energy: -339.389449 where: bonds (distance) C4'-P energy: -72.476 bonds (distance) P-C4' energy: -87.997 flat angles C4'-P-C4' energy: -80.223 flat angles P-C4'-P energy: -49.681 tors. eta vs tors. theta energy: -49.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -664.916899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.916899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.916899 (E_RNA) where: Base-Base interactions energy: -399.915 where: short stacking energy: -190.437 Base-Backbone interact. energy: 5.515 local terms energy: -270.517066 where: bonds (distance) C4'-P energy: -71.710 bonds (distance) P-C4' energy: -78.066 flat angles C4'-P-C4' energy: -69.873 flat angles P-C4'-P energy: -47.846 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -570.486604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.486604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.486604 (E_RNA) where: Base-Base interactions energy: -277.623 where: short stacking energy: -154.739 Base-Backbone interact. energy: 0.631 local terms energy: -293.494871 where: bonds (distance) C4'-P energy: -90.104 bonds (distance) P-C4' energy: -84.562 flat angles C4'-P-C4' energy: -65.346 flat angles P-C4'-P energy: -43.457 tors. eta vs tors. theta energy: -10.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -350.965975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.965975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.965975 (E_RNA) where: Base-Base interactions energy: -131.115 where: short stacking energy: -119.413 Base-Backbone interact. energy: -3.010 local terms energy: -216.840360 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -66.077 flat angles C4'-P-C4' energy: -52.311 flat angles P-C4'-P energy: -44.143 tors. eta vs tors. theta energy: 8.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1598.668569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.668569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.668569 (E_RNA) where: Base-Base interactions energy: -1099.959 where: short stacking energy: -449.235 Base-Backbone interact. energy: -3.362 local terms energy: -495.348014 where: bonds (distance) C4'-P energy: -90.504 bonds (distance) P-C4' energy: -95.690 flat angles C4'-P-C4' energy: -96.008 flat angles P-C4'-P energy: -77.317 tors. eta vs tors. theta energy: -135.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1544.669867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.669867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.669867 (E_RNA) where: Base-Base interactions energy: -1052.852 where: short stacking energy: -436.417 Base-Backbone interact. energy: -3.557 local terms energy: -488.261256 where: bonds (distance) C4'-P energy: -85.592 bonds (distance) P-C4' energy: -94.510 flat angles C4'-P-C4' energy: -106.409 flat angles P-C4'-P energy: -69.468 tors. eta vs tors. theta energy: -132.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1483.349000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.349000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.349000 (E_RNA) where: Base-Base interactions energy: -1028.615 where: short stacking energy: -422.208 Base-Backbone interact. energy: -1.388 local terms energy: -453.346025 where: bonds (distance) C4'-P energy: -89.075 bonds (distance) P-C4' energy: -83.617 flat angles C4'-P-C4' energy: -106.997 flat angles P-C4'-P energy: -44.483 tors. eta vs tors. theta energy: -129.174 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: 250 Temperature: 1.050000 Total energy: -1394.870756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.870756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.870756 (E_RNA) where: Base-Base interactions energy: -960.253 where: short stacking energy: -387.560 Base-Backbone interact. energy: -3.273 local terms energy: -431.344048 where: bonds (distance) C4'-P energy: -85.215 bonds (distance) P-C4' energy: -86.614 flat angles C4'-P-C4' energy: -92.833 flat angles P-C4'-P energy: -45.158 tors. eta vs tors. theta energy: -121.524 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: 5, replica: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1366.508329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.508329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.508329 (E_RNA) where: Base-Base interactions energy: -904.887 where: short stacking energy: -401.636 Base-Backbone interact. energy: -2.920 local terms energy: -458.701816 where: bonds (distance) C4'-P energy: -82.774 bonds (distance) P-C4' energy: -84.860 flat angles C4'-P-C4' energy: -103.103 flat angles P-C4'-P energy: -58.943 tors. eta vs tors. theta energy: -129.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -980.353091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.353091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.353091 (E_RNA) where: Base-Base interactions energy: -614.616 where: short stacking energy: -306.736 Base-Backbone interact. energy: 1.623 local terms energy: -367.359961 where: bonds (distance) C4'-P energy: -78.081 bonds (distance) P-C4' energy: -76.296 flat angles C4'-P-C4' energy: -84.288 flat angles P-C4'-P energy: -56.857 tors. eta vs tors. theta energy: -71.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -924.316963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.316963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.316963 (E_RNA) where: Base-Base interactions energy: -581.063 where: short stacking energy: -280.892 Base-Backbone interact. energy: -0.452 local terms energy: -342.802391 where: bonds (distance) C4'-P energy: -79.407 bonds (distance) P-C4' energy: -75.263 flat angles C4'-P-C4' energy: -80.827 flat angles P-C4'-P energy: -47.283 tors. eta vs tors. theta energy: -60.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -683.551851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.551851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.551851 (E_RNA) where: Base-Base interactions energy: -385.539 where: short stacking energy: -200.512 Base-Backbone interact. energy: 0.972 local terms energy: -298.984571 where: bonds (distance) C4'-P energy: -78.220 bonds (distance) P-C4' energy: -90.934 flat angles C4'-P-C4' energy: -58.586 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -21.505 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: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -566.431812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.431812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.431812 (E_RNA) where: Base-Base interactions energy: -282.976 where: short stacking energy: -161.018 Base-Backbone interact. energy: -0.012 local terms energy: -283.444304 where: bonds (distance) C4'-P energy: -75.637 bonds (distance) P-C4' energy: -75.099 flat angles C4'-P-C4' energy: -62.352 flat angles P-C4'-P energy: -57.800 tors. eta vs tors. theta energy: -12.557 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: 250 Temperature: 1.350000 Total energy: -385.737504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.737504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.737504 (E_RNA) where: Base-Base interactions energy: -148.200 where: short stacking energy: -119.657 Base-Backbone interact. energy: -2.177 local terms energy: -235.360539 where: bonds (distance) C4'-P energy: -78.729 bonds (distance) P-C4' energy: -64.637 flat angles C4'-P-C4' energy: -65.672 flat angles P-C4'-P energy: -27.525 tors. eta vs tors. theta energy: 1.203 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: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1605.093210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.093210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.093210 (E_RNA) where: Base-Base interactions energy: -1103.689 where: short stacking energy: -462.640 Base-Backbone interact. energy: -3.396 local terms energy: -498.008168 where: bonds (distance) C4'-P energy: -94.919 bonds (distance) P-C4' energy: -91.101 flat angles C4'-P-C4' energy: -95.570 flat angles P-C4'-P energy: -75.103 tors. eta vs tors. theta energy: -141.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1516.271153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.271153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.271153 (E_RNA) where: Base-Base interactions energy: -1048.882 where: short stacking energy: -439.862 Base-Backbone interact. energy: -4.341 local terms energy: -463.047725 where: bonds (distance) C4'-P energy: -87.953 bonds (distance) P-C4' energy: -83.230 flat angles C4'-P-C4' energy: -102.469 flat angles P-C4'-P energy: -65.623 tors. eta vs tors. theta energy: -123.773 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: 4 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1476.218096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.218096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.218096 (E_RNA) where: Base-Base interactions energy: -1039.353 where: short stacking energy: -426.987 Base-Backbone interact. energy: -0.699 local terms energy: -436.165697 where: bonds (distance) C4'-P energy: -78.201 bonds (distance) P-C4' energy: -80.236 flat angles C4'-P-C4' energy: -99.525 flat angles P-C4'-P energy: -55.755 tors. eta vs tors. theta energy: -122.448 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: 251 Temperature: 1.050000 Total energy: -1374.418076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.418076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.418076 (E_RNA) where: Base-Base interactions energy: -925.754 where: short stacking energy: -390.143 Base-Backbone interact. energy: -1.706 local terms energy: -446.958481 where: bonds (distance) C4'-P energy: -88.383 bonds (distance) P-C4' energy: -84.368 flat angles C4'-P-C4' energy: -91.991 flat angles P-C4'-P energy: -62.904 tors. eta vs tors. theta energy: -119.312 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: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1342.760119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.760119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.760119 (E_RNA) where: Base-Base interactions energy: -896.187 where: short stacking energy: -399.318 Base-Backbone interact. energy: -0.894 local terms energy: -445.679100 where: bonds (distance) C4'-P energy: -68.353 bonds (distance) P-C4' energy: -89.811 flat angles C4'-P-C4' energy: -95.074 flat angles P-C4'-P energy: -74.359 tors. eta vs tors. theta energy: -118.083 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: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -990.173488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.173488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.173488 (E_RNA) where: Base-Base interactions energy: -612.829 where: short stacking energy: -283.797 Base-Backbone interact. energy: 2.663 local terms energy: -380.007922 where: bonds (distance) C4'-P energy: -77.484 bonds (distance) P-C4' energy: -78.596 flat angles C4'-P-C4' energy: -101.709 flat angles P-C4'-P energy: -50.754 tors. eta vs tors. theta energy: -71.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -932.235770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.235770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.235770 (E_RNA) where: Base-Base interactions energy: -581.238 where: short stacking energy: -254.679 Base-Backbone interact. energy: 1.262 local terms energy: -352.258912 where: bonds (distance) C4'-P energy: -81.079 bonds (distance) P-C4' energy: -79.607 flat angles C4'-P-C4' energy: -81.568 flat angles P-C4'-P energy: -48.428 tors. eta vs tors. theta energy: -61.577 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: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -714.352645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.352645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.352645 (E_RNA) where: Base-Base interactions energy: -421.005 where: short stacking energy: -203.849 Base-Backbone interact. energy: 0.124 local terms energy: -293.471397 where: bonds (distance) C4'-P energy: -78.045 bonds (distance) P-C4' energy: -73.709 flat angles C4'-P-C4' energy: -79.341 flat angles P-C4'-P energy: -49.652 tors. eta vs tors. theta energy: -12.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -558.904849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.904849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.904849 (E_RNA) where: Base-Base interactions energy: -275.351 where: short stacking energy: -173.171 Base-Backbone interact. energy: -1.808 local terms energy: -281.745447 where: bonds (distance) C4'-P energy: -77.937 bonds (distance) P-C4' energy: -75.284 flat angles C4'-P-C4' energy: -73.726 flat angles P-C4'-P energy: -40.349 tors. eta vs tors. theta energy: -14.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -354.276446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.276446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.276446 (E_RNA) where: Base-Base interactions energy: -121.135 where: short stacking energy: -83.301 Base-Backbone interact. energy: 1.578 local terms energy: -234.720132 where: bonds (distance) C4'-P energy: -70.668 bonds (distance) P-C4' energy: -84.892 flat angles C4'-P-C4' energy: -66.231 flat angles P-C4'-P energy: -40.566 tors. eta vs tors. theta energy: 27.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1598.470200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.470200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.470200 (E_RNA) where: Base-Base interactions energy: -1105.988 where: short stacking energy: -445.833 Base-Backbone interact. energy: 0.088 local terms energy: -492.569786 where: bonds (distance) C4'-P energy: -79.345 bonds (distance) P-C4' energy: -96.403 flat angles C4'-P-C4' energy: -107.379 flat angles P-C4'-P energy: -67.021 tors. eta vs tors. theta energy: -142.422 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: 8 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1517.340864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.340864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.340864 (E_RNA) where: Base-Base interactions energy: -1051.162 where: short stacking energy: -429.043 Base-Backbone interact. energy: -2.319 local terms energy: -463.859983 where: bonds (distance) C4'-P energy: -83.432 bonds (distance) P-C4' energy: -84.183 flat angles C4'-P-C4' energy: -105.403 flat angles P-C4'-P energy: -67.538 tors. eta vs tors. theta energy: -123.305 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: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1473.119234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.119234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.119234 (E_RNA) where: Base-Base interactions energy: -999.659 where: short stacking energy: -427.823 Base-Backbone interact. energy: -1.798 local terms energy: -471.662002 where: bonds (distance) C4'-P energy: -87.763 bonds (distance) P-C4' energy: -89.913 flat angles C4'-P-C4' energy: -98.784 flat angles P-C4'-P energy: -63.619 tors. eta vs tors. theta energy: -131.583 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: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1341.219256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.219256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.219256 (E_RNA) where: Base-Base interactions energy: -910.712 where: short stacking energy: -391.771 Base-Backbone interact. energy: -0.924 local terms energy: -429.583511 where: bonds (distance) C4'-P energy: -79.631 bonds (distance) P-C4' energy: -81.073 flat angles C4'-P-C4' energy: -94.844 flat angles P-C4'-P energy: -67.345 tors. eta vs tors. theta energy: -106.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1368.527483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.527483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.527483 (E_RNA) where: Base-Base interactions energy: -904.309 where: short stacking energy: -400.820 Base-Backbone interact. energy: -0.020 local terms energy: -464.198081 where: bonds (distance) C4'-P energy: -88.528 bonds (distance) P-C4' energy: -90.186 flat angles C4'-P-C4' energy: -93.889 flat angles P-C4'-P energy: -66.415 tors. eta vs tors. theta energy: -125.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1041.454370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.454370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.454370 (E_RNA) where: Base-Base interactions energy: -669.605 where: short stacking energy: -303.872 Base-Backbone interact. energy: -1.126 local terms energy: -370.723050 where: bonds (distance) C4'-P energy: -74.560 bonds (distance) P-C4' energy: -74.840 flat angles C4'-P-C4' energy: -86.764 flat angles P-C4'-P energy: -63.614 tors. eta vs tors. theta energy: -70.944 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: 1 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1006.505804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.505804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.505804 (E_RNA) where: Base-Base interactions energy: -663.562 where: short stacking energy: -310.460 Base-Backbone interact. energy: -0.513 local terms energy: -342.431001 where: bonds (distance) C4'-P energy: -61.175 bonds (distance) P-C4' energy: -90.838 flat angles C4'-P-C4' energy: -71.398 flat angles P-C4'-P energy: -52.817 tors. eta vs tors. theta energy: -66.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -692.814841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.814841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.814841 (E_RNA) where: Base-Base interactions energy: -373.992 where: short stacking energy: -196.967 Base-Backbone interact. energy: -0.817 local terms energy: -318.005837 where: bonds (distance) C4'-P energy: -90.696 bonds (distance) P-C4' energy: -82.595 flat angles C4'-P-C4' energy: -65.543 flat angles P-C4'-P energy: -49.408 tors. eta vs tors. theta energy: -29.764 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: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -554.180015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.180015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.180015 (E_RNA) where: Base-Base interactions energy: -272.453 where: short stacking energy: -159.280 Base-Backbone interact. energy: 0.167 local terms energy: -281.893421 where: bonds (distance) C4'-P energy: -79.676 bonds (distance) P-C4' energy: -81.764 flat angles C4'-P-C4' energy: -59.478 flat angles P-C4'-P energy: -41.382 tors. eta vs tors. theta energy: -19.593 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: 10, replica: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -390.180702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.180702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.180702 (E_RNA) where: Base-Base interactions energy: -136.260 where: short stacking energy: -91.645 Base-Backbone interact. energy: -1.102 local terms energy: -252.818828 where: bonds (distance) C4'-P energy: -80.019 bonds (distance) P-C4' energy: -78.861 flat angles C4'-P-C4' energy: -64.440 flat angles P-C4'-P energy: -44.940 tors. eta vs tors. theta energy: 15.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1609.227771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.227771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.227771 (E_RNA) where: Base-Base interactions energy: -1115.233 where: short stacking energy: -460.671 Base-Backbone interact. energy: -1.086 local terms energy: -492.908645 where: bonds (distance) C4'-P energy: -87.690 bonds (distance) P-C4' energy: -95.264 flat angles C4'-P-C4' energy: -105.217 flat angles P-C4'-P energy: -60.880 tors. eta vs tors. theta energy: -143.858 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: 4 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1513.967198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.967198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.967198 (E_RNA) where: Base-Base interactions energy: -1030.438 where: short stacking energy: -432.194 Base-Backbone interact. energy: 0.299 local terms energy: -483.829025 where: bonds (distance) C4'-P energy: -90.335 bonds (distance) P-C4' energy: -95.561 flat angles C4'-P-C4' energy: -104.186 flat angles P-C4'-P energy: -73.515 tors. eta vs tors. theta energy: -120.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1499.473523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.473523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.473523 (E_RNA) where: Base-Base interactions energy: -1040.808 where: short stacking energy: -429.017 Base-Backbone interact. energy: -3.591 local terms energy: -455.074491 where: bonds (distance) C4'-P energy: -91.658 bonds (distance) P-C4' energy: -86.839 flat angles C4'-P-C4' energy: -97.817 flat angles P-C4'-P energy: -52.828 tors. eta vs tors. theta energy: -125.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1400.064214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.064214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.064214 (E_RNA) where: Base-Base interactions energy: -947.030 where: short stacking energy: -403.328 Base-Backbone interact. energy: -1.129 local terms energy: -451.904944 where: bonds (distance) C4'-P energy: -80.489 bonds (distance) P-C4' energy: -93.482 flat angles C4'-P-C4' energy: -95.954 flat angles P-C4'-P energy: -56.146 tors. eta vs tors. theta energy: -125.834 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: 253 Temperature: 1.100000 Total energy: -1340.653504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.653504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.653504 (E_RNA) where: Base-Base interactions energy: -927.932 where: short stacking energy: -392.184 Base-Backbone interact. energy: -0.680 local terms energy: -412.042164 where: bonds (distance) C4'-P energy: -61.025 bonds (distance) P-C4' energy: -83.635 flat angles C4'-P-C4' energy: -100.094 flat angles P-C4'-P energy: -61.421 tors. eta vs tors. theta energy: -105.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1032.544640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.544640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.544640 (E_RNA) where: Base-Base interactions energy: -667.500 where: short stacking energy: -302.695 Base-Backbone interact. energy: -1.502 local terms energy: -363.542834 where: bonds (distance) C4'-P energy: -69.420 bonds (distance) P-C4' energy: -78.289 flat angles C4'-P-C4' energy: -86.325 flat angles P-C4'-P energy: -54.311 tors. eta vs tors. theta energy: -75.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1029.399880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.399880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.399880 (E_RNA) where: Base-Base interactions energy: -659.817 where: short stacking energy: -292.984 Base-Backbone interact. energy: -3.105 local terms energy: -366.477676 where: bonds (distance) C4'-P energy: -82.016 bonds (distance) P-C4' energy: -83.145 flat angles C4'-P-C4' energy: -81.025 flat angles P-C4'-P energy: -47.688 tors. eta vs tors. theta energy: -72.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -641.472060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.472060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.472060 (E_RNA) where: Base-Base interactions energy: -353.706 where: short stacking energy: -181.413 Base-Backbone interact. energy: -1.825 local terms energy: -285.941176 where: bonds (distance) C4'-P energy: -67.518 bonds (distance) P-C4' energy: -71.693 flat angles C4'-P-C4' energy: -75.976 flat angles P-C4'-P energy: -47.679 tors. eta vs tors. theta energy: -23.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -535.435658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.435658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.435658 (E_RNA) where: Base-Base interactions energy: -269.068 where: short stacking energy: -147.988 Base-Backbone interact. energy: -0.488 local terms energy: -265.879666 where: bonds (distance) C4'-P energy: -85.516 bonds (distance) P-C4' energy: -85.182 flat angles C4'-P-C4' energy: -66.148 flat angles P-C4'-P energy: -35.845 tors. eta vs tors. theta energy: 6.811 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: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -352.712071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.712071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.712071 (E_RNA) where: Base-Base interactions energy: -141.286 where: short stacking energy: -111.518 Base-Backbone interact. energy: -1.827 local terms energy: -209.598702 where: bonds (distance) C4'-P energy: -63.174 bonds (distance) P-C4' energy: -73.622 flat angles C4'-P-C4' energy: -64.680 flat angles P-C4'-P energy: -29.646 tors. eta vs tors. theta energy: 21.523 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: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1620.815539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.815539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.815539 (E_RNA) where: Base-Base interactions energy: -1120.454 where: short stacking energy: -465.282 Base-Backbone interact. energy: -2.669 local terms energy: -497.692569 where: bonds (distance) C4'-P energy: -89.351 bonds (distance) P-C4' energy: -94.436 flat angles C4'-P-C4' energy: -106.566 flat angles P-C4'-P energy: -74.148 tors. eta vs tors. theta energy: -133.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1533.186502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.186502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.186502 (E_RNA) where: Base-Base interactions energy: -1061.576 where: short stacking energy: -431.968 Base-Backbone interact. energy: -2.312 local terms energy: -469.298425 where: bonds (distance) C4'-P energy: -89.296 bonds (distance) P-C4' energy: -79.154 flat angles C4'-P-C4' energy: -98.584 flat angles P-C4'-P energy: -65.202 tors. eta vs tors. theta energy: -137.061 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: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1492.569284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.569284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.569284 (E_RNA) where: Base-Base interactions energy: -1031.538 where: short stacking energy: -417.991 Base-Backbone interact. energy: -2.576 local terms energy: -458.454823 where: bonds (distance) C4'-P energy: -76.603 bonds (distance) P-C4' energy: -87.496 flat angles C4'-P-C4' energy: -104.552 flat angles P-C4'-P energy: -62.369 tors. eta vs tors. theta energy: -127.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1445.080104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.080104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.080104 (E_RNA) where: Base-Base interactions energy: -997.102 where: short stacking energy: -413.746 Base-Backbone interact. energy: -1.975 local terms energy: -446.003133 where: bonds (distance) C4'-P energy: -75.278 bonds (distance) P-C4' energy: -85.039 flat angles C4'-P-C4' energy: -83.481 flat angles P-C4'-P energy: -72.640 tors. eta vs tors. theta energy: -129.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1267.346523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.346523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.346523 (E_RNA) where: Base-Base interactions energy: -843.707 where: short stacking energy: -368.248 Base-Backbone interact. energy: -1.810 local terms energy: -421.829418 where: bonds (distance) C4'-P energy: -95.658 bonds (distance) P-C4' energy: -91.360 flat angles C4'-P-C4' energy: -85.959 flat angles P-C4'-P energy: -43.039 tors. eta vs tors. theta energy: -105.813 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: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1011.433031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.433031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.433031 (E_RNA) where: Base-Base interactions energy: -656.509 where: short stacking energy: -290.638 Base-Backbone interact. energy: -0.123 local terms energy: -354.800833 where: bonds (distance) C4'-P energy: -81.947 bonds (distance) P-C4' energy: -71.709 flat angles C4'-P-C4' energy: -87.553 flat angles P-C4'-P energy: -45.797 tors. eta vs tors. theta energy: -67.794 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: 1 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -953.448362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.448362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.448362 (E_RNA) where: Base-Base interactions energy: -606.836 where: short stacking energy: -246.753 Base-Backbone interact. energy: -2.381 local terms energy: -344.232096 where: bonds (distance) C4'-P energy: -83.654 bonds (distance) P-C4' energy: -92.205 flat angles C4'-P-C4' energy: -69.122 flat angles P-C4'-P energy: -35.569 tors. eta vs tors. theta energy: -63.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -627.223824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.223824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.223824 (E_RNA) where: Base-Base interactions energy: -346.943 where: short stacking energy: -193.240 Base-Backbone interact. energy: 1.236 local terms energy: -281.517286 where: bonds (distance) C4'-P energy: -79.763 bonds (distance) P-C4' energy: -75.635 flat angles C4'-P-C4' energy: -71.288 flat angles P-C4'-P energy: -36.260 tors. eta vs tors. theta energy: -18.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -560.008507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.008507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.008507 (E_RNA) where: Base-Base interactions energy: -285.645 where: short stacking energy: -161.502 Base-Backbone interact. energy: 0.926 local terms energy: -275.289201 where: bonds (distance) C4'-P energy: -81.684 bonds (distance) P-C4' energy: -81.629 flat angles C4'-P-C4' energy: -66.325 flat angles P-C4'-P energy: -33.916 tors. eta vs tors. theta energy: -11.736 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: 9 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -354.105390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.105390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.105390 (E_RNA) where: Base-Base interactions energy: -127.892 where: short stacking energy: -110.929 Base-Backbone interact. energy: -1.943 local terms energy: -224.270390 where: bonds (distance) C4'-P energy: -59.917 bonds (distance) P-C4' energy: -65.899 flat angles C4'-P-C4' energy: -51.807 flat angles P-C4'-P energy: -46.683 tors. eta vs tors. theta energy: 0.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1594.246167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.246167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.246167 (E_RNA) where: Base-Base interactions energy: -1089.349 where: short stacking energy: -441.440 Base-Backbone interact. energy: -3.564 local terms energy: -501.332684 where: bonds (distance) C4'-P energy: -83.401 bonds (distance) P-C4' energy: -95.683 flat angles C4'-P-C4' energy: -104.105 flat angles P-C4'-P energy: -74.174 tors. eta vs tors. theta energy: -143.969 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: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1505.156264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.156264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.156264 (E_RNA) where: Base-Base interactions energy: -1054.007 where: short stacking energy: -420.887 Base-Backbone interact. energy: -0.176 local terms energy: -450.973282 where: bonds (distance) C4'-P energy: -83.550 bonds (distance) P-C4' energy: -88.272 flat angles C4'-P-C4' energy: -103.251 flat angles P-C4'-P energy: -53.419 tors. eta vs tors. theta energy: -122.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1497.679569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.679569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.679569 (E_RNA) where: Base-Base interactions energy: -1038.223 where: short stacking energy: -420.964 Base-Backbone interact. energy: -2.803 local terms energy: -456.653337 where: bonds (distance) C4'-P energy: -89.011 bonds (distance) P-C4' energy: -85.453 flat angles C4'-P-C4' energy: -95.278 flat angles P-C4'-P energy: -69.003 tors. eta vs tors. theta energy: -117.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1442.184223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.184223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.184223 (E_RNA) where: Base-Base interactions energy: -970.822 where: short stacking energy: -409.763 Base-Backbone interact. energy: -1.664 local terms energy: -469.698685 where: bonds (distance) C4'-P energy: -87.067 bonds (distance) P-C4' energy: -80.347 flat angles C4'-P-C4' energy: -100.645 flat angles P-C4'-P energy: -66.938 tors. eta vs tors. theta energy: -134.702 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: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1268.755686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.755686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.755686 (E_RNA) where: Base-Base interactions energy: -838.069 where: short stacking energy: -349.843 Base-Backbone interact. energy: -2.389 local terms energy: -428.297117 where: bonds (distance) C4'-P energy: -89.528 bonds (distance) P-C4' energy: -82.593 flat angles C4'-P-C4' energy: -92.947 flat angles P-C4'-P energy: -63.269 tors. eta vs tors. theta energy: -99.961 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: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1098.090998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.090998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.090998 (E_RNA) where: Base-Base interactions energy: -698.202 where: short stacking energy: -307.623 Base-Backbone interact. energy: -1.191 local terms energy: -398.698508 where: bonds (distance) C4'-P energy: -79.362 bonds (distance) P-C4' energy: -89.680 flat angles C4'-P-C4' energy: -86.476 flat angles P-C4'-P energy: -59.039 tors. eta vs tors. theta energy: -84.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -946.559073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.559073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.559073 (E_RNA) where: Base-Base interactions energy: -607.990 where: short stacking energy: -274.964 Base-Backbone interact. energy: -0.508 local terms energy: -338.061077 where: bonds (distance) C4'-P energy: -69.947 bonds (distance) P-C4' energy: -76.311 flat angles C4'-P-C4' energy: -78.435 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -67.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -597.256584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.256584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.256584 (E_RNA) where: Base-Base interactions energy: -317.454 where: short stacking energy: -161.701 Base-Backbone interact. energy: 5.157 local terms energy: -284.959123 where: bonds (distance) C4'-P energy: -73.112 bonds (distance) P-C4' energy: -94.010 flat angles C4'-P-C4' energy: -60.705 flat angles P-C4'-P energy: -46.965 tors. eta vs tors. theta energy: -10.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -530.245290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.245290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.245290 (E_RNA) where: Base-Base interactions energy: -269.744 where: short stacking energy: -146.199 Base-Backbone interact. energy: 0.078 local terms energy: -260.579231 where: bonds (distance) C4'-P energy: -71.305 bonds (distance) P-C4' energy: -68.304 flat angles C4'-P-C4' energy: -75.560 flat angles P-C4'-P energy: -47.664 tors. eta vs tors. theta energy: 2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -371.009532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.009532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.009532 (E_RNA) where: Base-Base interactions energy: -144.096 where: short stacking energy: -109.459 Base-Backbone interact. energy: -0.655 local terms energy: -226.258950 where: bonds (distance) C4'-P energy: -55.442 bonds (distance) P-C4' energy: -75.313 flat angles C4'-P-C4' energy: -72.234 flat angles P-C4'-P energy: -34.719 tors. eta vs tors. theta energy: 11.449 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: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1595.257139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.257139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.257139 (E_RNA) where: Base-Base interactions energy: -1106.622 where: short stacking energy: -449.989 Base-Backbone interact. energy: -1.385 local terms energy: -487.250390 where: bonds (distance) C4'-P energy: -87.072 bonds (distance) P-C4' energy: -96.352 flat angles C4'-P-C4' energy: -99.933 flat angles P-C4'-P energy: -74.350 tors. eta vs tors. theta energy: -129.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1496.808442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.808442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.808442 (E_RNA) where: Base-Base interactions energy: -1044.100 where: short stacking energy: -401.706 Base-Backbone interact. energy: -2.872 local terms energy: -449.836905 where: bonds (distance) C4'-P energy: -87.210 bonds (distance) P-C4' energy: -81.931 flat angles C4'-P-C4' energy: -101.966 flat angles P-C4'-P energy: -60.625 tors. eta vs tors. theta energy: -118.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1472.511344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.511344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.511344 (E_RNA) where: Base-Base interactions energy: -1012.633 where: short stacking energy: -405.400 Base-Backbone interact. energy: -3.768 local terms energy: -456.110398 where: bonds (distance) C4'-P energy: -78.707 bonds (distance) P-C4' energy: -84.990 flat angles C4'-P-C4' energy: -105.055 flat angles P-C4'-P energy: -66.189 tors. eta vs tors. theta energy: -121.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1417.033318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.033318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.033318 (E_RNA) where: Base-Base interactions energy: -954.369 where: short stacking energy: -394.616 Base-Backbone interact. energy: -2.793 local terms energy: -459.871394 where: bonds (distance) C4'-P energy: -85.098 bonds (distance) P-C4' energy: -78.121 flat angles C4'-P-C4' energy: -92.393 flat angles P-C4'-P energy: -76.704 tors. eta vs tors. theta energy: -127.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1324.503377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.503377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.503377 (E_RNA) where: Base-Base interactions energy: -914.709 where: short stacking energy: -412.021 Base-Backbone interact. energy: -1.776 local terms energy: -408.018487 where: bonds (distance) C4'-P energy: -70.436 bonds (distance) P-C4' energy: -78.879 flat angles C4'-P-C4' energy: -86.974 flat angles P-C4'-P energy: -51.829 tors. eta vs tors. theta energy: -119.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1063.814369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.814369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.814369 (E_RNA) where: Base-Base interactions energy: -673.138 where: short stacking energy: -294.678 Base-Backbone interact. energy: -0.024 local terms energy: -390.652160 where: bonds (distance) C4'-P energy: -82.175 bonds (distance) P-C4' energy: -74.813 flat angles C4'-P-C4' energy: -91.211 flat angles P-C4'-P energy: -60.379 tors. eta vs tors. theta energy: -82.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -946.361775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.361775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.361775 (E_RNA) where: Base-Base interactions energy: -583.588 where: short stacking energy: -261.797 Base-Backbone interact. energy: -1.839 local terms energy: -360.935618 where: bonds (distance) C4'-P energy: -80.770 bonds (distance) P-C4' energy: -87.946 flat angles C4'-P-C4' energy: -78.170 flat angles P-C4'-P energy: -46.792 tors. eta vs tors. theta energy: -67.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -656.823735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.823735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.823735 (E_RNA) where: Base-Base interactions energy: -356.148 where: short stacking energy: -183.016 Base-Backbone interact. energy: -0.709 local terms energy: -299.965999 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -69.267 flat angles C4'-P-C4' energy: -77.002 flat angles P-C4'-P energy: -38.846 tors. eta vs tors. theta energy: -34.297 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: 9, replica: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -545.977693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.977693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.977693 (E_RNA) where: Base-Base interactions energy: -270.648 where: short stacking energy: -170.401 Base-Backbone interact. energy: -1.747 local terms energy: -273.582563 where: bonds (distance) C4'-P energy: -89.304 bonds (distance) P-C4' energy: -74.265 flat angles C4'-P-C4' energy: -62.550 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: -2.701 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: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -352.993782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.993782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.993782 (E_RNA) where: Base-Base interactions energy: -127.926 where: short stacking energy: -93.245 Base-Backbone interact. energy: -3.587 local terms energy: -221.480719 where: bonds (distance) C4'-P energy: -65.589 bonds (distance) P-C4' energy: -78.825 flat angles C4'-P-C4' energy: -52.831 flat angles P-C4'-P energy: -40.585 tors. eta vs tors. theta energy: 16.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1603.488201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.488201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.488201 (E_RNA) where: Base-Base interactions energy: -1138.853 where: short stacking energy: -470.380 Base-Backbone interact. energy: -1.087 local terms energy: -463.548604 where: bonds (distance) C4'-P energy: -86.406 bonds (distance) P-C4' energy: -83.746 flat angles C4'-P-C4' energy: -97.153 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: -131.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1531.813565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.813565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.813565 (E_RNA) where: Base-Base interactions energy: -1079.404 where: short stacking energy: -433.108 Base-Backbone interact. energy: 3.562 local terms energy: -455.971470 where: bonds (distance) C4'-P energy: -86.777 bonds (distance) P-C4' energy: -86.037 flat angles C4'-P-C4' energy: -103.499 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: -125.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1513.240868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.240868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.240868 (E_RNA) where: Base-Base interactions energy: -1055.735 where: short stacking energy: -439.992 Base-Backbone interact. energy: 0.050 local terms energy: -457.556200 where: bonds (distance) C4'-P energy: -88.573 bonds (distance) P-C4' energy: -87.099 flat angles C4'-P-C4' energy: -93.038 flat angles P-C4'-P energy: -56.860 tors. eta vs tors. theta energy: -131.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1402.309029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.309029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.309029 (E_RNA) where: Base-Base interactions energy: -949.619 where: short stacking energy: -409.340 Base-Backbone interact. energy: -1.634 local terms energy: -451.056283 where: bonds (distance) C4'-P energy: -77.112 bonds (distance) P-C4' energy: -82.338 flat angles C4'-P-C4' energy: -92.052 flat angles P-C4'-P energy: -64.901 tors. eta vs tors. theta energy: -134.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1322.796721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.796721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.796721 (E_RNA) where: Base-Base interactions energy: -903.681 where: short stacking energy: -377.472 Base-Backbone interact. energy: -1.449 local terms energy: -417.666721 where: bonds (distance) C4'-P energy: -64.572 bonds (distance) P-C4' energy: -77.430 flat angles C4'-P-C4' energy: -95.559 flat angles P-C4'-P energy: -67.371 tors. eta vs tors. theta energy: -112.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1018.876323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.876323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.876323 (E_RNA) where: Base-Base interactions energy: -651.846 where: short stacking energy: -316.311 Base-Backbone interact. energy: 0.302 local terms energy: -367.332370 where: bonds (distance) C4'-P energy: -58.096 bonds (distance) P-C4' energy: -84.332 flat angles C4'-P-C4' energy: -87.114 flat angles P-C4'-P energy: -62.000 tors. eta vs tors. theta energy: -75.791 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: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1051.466146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.466146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.466146 (E_RNA) where: Base-Base interactions energy: -688.295 where: short stacking energy: -306.360 Base-Backbone interact. energy: -1.566 local terms energy: -361.605425 where: bonds (distance) C4'-P energy: -71.644 bonds (distance) P-C4' energy: -80.530 flat angles C4'-P-C4' energy: -89.875 flat angles P-C4'-P energy: -49.563 tors. eta vs tors. theta energy: -69.994 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: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -649.538108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.538108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.538108 (E_RNA) where: Base-Base interactions energy: -347.030 where: short stacking energy: -207.574 Base-Backbone interact. energy: -2.376 local terms energy: -300.131863 where: bonds (distance) C4'-P energy: -71.385 bonds (distance) P-C4' energy: -94.494 flat angles C4'-P-C4' energy: -71.761 flat angles P-C4'-P energy: -31.054 tors. eta vs tors. theta energy: -31.438 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: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -554.204886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.204886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.204886 (E_RNA) where: Base-Base interactions energy: -285.682 where: short stacking energy: -158.528 Base-Backbone interact. energy: 1.801 local terms energy: -270.323462 where: bonds (distance) C4'-P energy: -65.754 bonds (distance) P-C4' energy: -87.028 flat angles C4'-P-C4' energy: -77.303 flat angles P-C4'-P energy: -33.702 tors. eta vs tors. theta energy: -6.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -372.030807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.030807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.030807 (E_RNA) where: Base-Base interactions energy: -110.805 where: short stacking energy: -97.984 Base-Backbone interact. energy: 0.742 local terms energy: -261.967918 where: bonds (distance) C4'-P energy: -82.222 bonds (distance) P-C4' energy: -78.538 flat angles C4'-P-C4' energy: -54.397 flat angles P-C4'-P energy: -45.317 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1588.357767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.357767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.357767 (E_RNA) where: Base-Base interactions energy: -1103.684 where: short stacking energy: -476.967 Base-Backbone interact. energy: -1.682 local terms energy: -482.991495 where: bonds (distance) C4'-P energy: -84.447 bonds (distance) P-C4' energy: -89.568 flat angles C4'-P-C4' energy: -98.267 flat angles P-C4'-P energy: -67.968 tors. eta vs tors. theta energy: -142.742 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: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1537.718304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.718304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.718304 (E_RNA) where: Base-Base interactions energy: -1064.573 where: short stacking energy: -414.548 Base-Backbone interact. energy: 1.315 local terms energy: -474.459978 where: bonds (distance) C4'-P energy: -94.078 bonds (distance) P-C4' energy: -93.592 flat angles C4'-P-C4' energy: -91.656 flat angles P-C4'-P energy: -70.169 tors. eta vs tors. theta energy: -124.966 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: 4 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1472.676299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.676299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.676299 (E_RNA) where: Base-Base interactions energy: -1018.305 where: short stacking energy: -415.401 Base-Backbone interact. energy: -1.329 local terms energy: -453.042926 where: bonds (distance) C4'-P energy: -75.331 bonds (distance) P-C4' energy: -75.856 flat angles C4'-P-C4' energy: -99.439 flat angles P-C4'-P energy: -75.189 tors. eta vs tors. theta energy: -127.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1405.328628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.328628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.328628 (E_RNA) where: Base-Base interactions energy: -968.197 where: short stacking energy: -400.609 Base-Backbone interact. energy: -2.349 local terms energy: -434.782015 where: bonds (distance) C4'-P energy: -67.762 bonds (distance) P-C4' energy: -80.421 flat angles C4'-P-C4' energy: -100.746 flat angles P-C4'-P energy: -53.250 tors. eta vs tors. theta energy: -132.604 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: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1327.368952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.368952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.368952 (E_RNA) where: Base-Base interactions energy: -909.990 where: short stacking energy: -371.618 Base-Backbone interact. energy: -1.202 local terms energy: -416.177479 where: bonds (distance) C4'-P energy: -79.083 bonds (distance) P-C4' energy: -83.752 flat angles C4'-P-C4' energy: -81.282 flat angles P-C4'-P energy: -54.301 tors. eta vs tors. theta energy: -117.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1023.938894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.938894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.938894 (E_RNA) where: Base-Base interactions energy: -634.919 where: short stacking energy: -295.072 Base-Backbone interact. energy: 1.510 local terms energy: -390.530054 where: bonds (distance) C4'-P energy: -92.605 bonds (distance) P-C4' energy: -89.770 flat angles C4'-P-C4' energy: -86.724 flat angles P-C4'-P energy: -45.395 tors. eta vs tors. theta energy: -76.036 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: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1022.103475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.103475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.103475 (E_RNA) where: Base-Base interactions energy: -694.782 where: short stacking energy: -314.093 Base-Backbone interact. energy: 4.799 local terms energy: -332.120217 where: bonds (distance) C4'-P energy: -72.745 bonds (distance) P-C4' energy: -74.250 flat angles C4'-P-C4' energy: -73.969 flat angles P-C4'-P energy: -40.068 tors. eta vs tors. theta energy: -71.089 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: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -675.765693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.765693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.765693 (E_RNA) where: Base-Base interactions energy: -382.145 where: short stacking energy: -196.347 Base-Backbone interact. energy: -1.393 local terms energy: -292.227405 where: bonds (distance) C4'-P energy: -78.705 bonds (distance) P-C4' energy: -77.880 flat angles C4'-P-C4' energy: -79.407 flat angles P-C4'-P energy: -31.826 tors. eta vs tors. theta energy: -24.409 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: 9, replica: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -571.014978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.014978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.014978 (E_RNA) where: Base-Base interactions energy: -302.877 where: short stacking energy: -139.663 Base-Backbone interact. energy: -1.435 local terms energy: -266.703638 where: bonds (distance) C4'-P energy: -79.540 bonds (distance) P-C4' energy: -70.188 flat angles C4'-P-C4' energy: -76.475 flat angles P-C4'-P energy: -47.009 tors. eta vs tors. theta energy: 6.508 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: 10, replica: 9 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -360.124015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.124015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.124015 (E_RNA) where: Base-Base interactions energy: -120.601 where: short stacking energy: -111.062 Base-Backbone interact. energy: -1.579 local terms energy: -237.944027 where: bonds (distance) C4'-P energy: -81.590 bonds (distance) P-C4' energy: -68.061 flat angles C4'-P-C4' energy: -59.305 flat angles P-C4'-P energy: -41.378 tors. eta vs tors. theta energy: 12.390 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: 1, replica: 2 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1609.933918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.933918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.933918 (E_RNA) where: Base-Base interactions energy: -1119.237 where: short stacking energy: -475.103 Base-Backbone interact. energy: -0.725 local terms energy: -489.971743 where: bonds (distance) C4'-P energy: -84.341 bonds (distance) P-C4' energy: -84.917 flat angles C4'-P-C4' energy: -105.426 flat angles P-C4'-P energy: -71.724 tors. eta vs tors. theta energy: -143.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1572.092899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.092899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.092899 (E_RNA) where: Base-Base interactions energy: -1075.802 where: short stacking energy: -452.152 Base-Backbone interact. energy: -0.173 local terms energy: -496.117987 where: bonds (distance) C4'-P energy: -86.536 bonds (distance) P-C4' energy: -95.429 flat angles C4'-P-C4' energy: -105.437 flat angles P-C4'-P energy: -73.218 tors. eta vs tors. theta energy: -135.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1485.181040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.181040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.181040 (E_RNA) where: Base-Base interactions energy: -1033.752 where: short stacking energy: -443.819 Base-Backbone interact. energy: -2.472 local terms energy: -448.957706 where: bonds (distance) C4'-P energy: -78.768 bonds (distance) P-C4' energy: -78.745 flat angles C4'-P-C4' energy: -95.416 flat angles P-C4'-P energy: -61.570 tors. eta vs tors. theta energy: -134.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1431.913795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.913795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.913795 (E_RNA) where: Base-Base interactions energy: -969.635 where: short stacking energy: -401.686 Base-Backbone interact. energy: -1.348 local terms energy: -460.930812 where: bonds (distance) C4'-P energy: -77.688 bonds (distance) P-C4' energy: -81.477 flat angles C4'-P-C4' energy: -100.534 flat angles P-C4'-P energy: -66.512 tors. eta vs tors. theta energy: -134.719 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: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1333.623311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.623311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.623311 (E_RNA) where: Base-Base interactions energy: -901.363 where: short stacking energy: -362.170 Base-Backbone interact. energy: -0.864 local terms energy: -431.396536 where: bonds (distance) C4'-P energy: -89.762 bonds (distance) P-C4' energy: -77.373 flat angles C4'-P-C4' energy: -98.937 flat angles P-C4'-P energy: -62.982 tors. eta vs tors. theta energy: -102.342 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: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -997.954596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.954596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.954596 (E_RNA) where: Base-Base interactions energy: -631.348 where: short stacking energy: -262.003 Base-Backbone interact. energy: -2.255 local terms energy: -364.351115 where: bonds (distance) C4'-P energy: -76.452 bonds (distance) P-C4' energy: -80.093 flat angles C4'-P-C4' energy: -87.576 flat angles P-C4'-P energy: -61.335 tors. eta vs tors. theta energy: -58.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -955.986473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.986473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.986473 (E_RNA) where: Base-Base interactions energy: -604.879 where: short stacking energy: -302.715 Base-Backbone interact. energy: 1.256 local terms energy: -352.363461 where: bonds (distance) C4'-P energy: -81.118 bonds (distance) P-C4' energy: -71.507 flat angles C4'-P-C4' energy: -80.970 flat angles P-C4'-P energy: -44.441 tors. eta vs tors. theta energy: -74.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -611.444616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.444616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.444616 (E_RNA) where: Base-Base interactions energy: -328.426 where: short stacking energy: -169.948 Base-Backbone interact. energy: 1.954 local terms energy: -284.972891 where: bonds (distance) C4'-P energy: -95.768 bonds (distance) P-C4' energy: -76.749 flat angles C4'-P-C4' energy: -67.511 flat angles P-C4'-P energy: -34.701 tors. eta vs tors. theta energy: -10.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -556.270791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.270791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.270791 (E_RNA) where: Base-Base interactions energy: -313.809 where: short stacking energy: -186.263 Base-Backbone interact. energy: 2.588 local terms energy: -245.049451 where: bonds (distance) C4'-P energy: -72.931 bonds (distance) P-C4' energy: -62.148 flat angles C4'-P-C4' energy: -63.440 flat angles P-C4'-P energy: -33.807 tors. eta vs tors. theta energy: -12.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -353.312984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.312984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.312984 (E_RNA) where: Base-Base interactions energy: -135.336 where: short stacking energy: -97.059 Base-Backbone interact. energy: -1.261 local terms energy: -216.716112 where: bonds (distance) C4'-P energy: -67.726 bonds (distance) P-C4' energy: -72.930 flat angles C4'-P-C4' energy: -73.018 flat angles P-C4'-P energy: -29.987 tors. eta vs tors. theta energy: 26.945 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: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1600.838452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.838452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.838452 (E_RNA) where: Base-Base interactions energy: -1120.330 where: short stacking energy: -463.531 Base-Backbone interact. energy: -0.088 local terms energy: -480.420213 where: bonds (distance) C4'-P energy: -87.118 bonds (distance) P-C4' energy: -91.029 flat angles C4'-P-C4' energy: -100.265 flat angles P-C4'-P energy: -71.078 tors. eta vs tors. theta energy: -130.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1537.134608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.134608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.134608 (E_RNA) where: Base-Base interactions energy: -1070.362 where: short stacking energy: -417.545 Base-Backbone interact. energy: -2.765 local terms energy: -464.007520 where: bonds (distance) C4'-P energy: -81.285 bonds (distance) P-C4' energy: -98.730 flat angles C4'-P-C4' energy: -96.014 flat angles P-C4'-P energy: -64.946 tors. eta vs tors. theta energy: -123.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1472.612873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.612873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.612873 (E_RNA) where: Base-Base interactions energy: -993.673 where: short stacking energy: -417.021 Base-Backbone interact. energy: -1.994 local terms energy: -476.946625 where: bonds (distance) C4'-P energy: -82.993 bonds (distance) P-C4' energy: -91.754 flat angles C4'-P-C4' energy: -95.046 flat angles P-C4'-P energy: -81.405 tors. eta vs tors. theta energy: -125.749 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: 5 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1468.220244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.220244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.220244 (E_RNA) where: Base-Base interactions energy: -1012.829 where: short stacking energy: -437.149 Base-Backbone interact. energy: -1.717 local terms energy: -453.673936 where: bonds (distance) C4'-P energy: -82.887 bonds (distance) P-C4' energy: -75.229 flat angles C4'-P-C4' energy: -98.108 flat angles P-C4'-P energy: -57.763 tors. eta vs tors. theta energy: -139.686 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: 3 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1320.716401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.716401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.716401 (E_RNA) where: Base-Base interactions energy: -875.955 where: short stacking energy: -383.594 Base-Backbone interact. energy: -0.688 local terms energy: -444.073353 where: bonds (distance) C4'-P energy: -84.886 bonds (distance) P-C4' energy: -84.539 flat angles C4'-P-C4' energy: -94.882 flat angles P-C4'-P energy: -66.803 tors. eta vs tors. theta energy: -112.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -973.192969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.192969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.192969 (E_RNA) where: Base-Base interactions energy: -599.187 where: short stacking energy: -276.584 Base-Backbone interact. energy: -1.347 local terms energy: -372.659574 where: bonds (distance) C4'-P energy: -92.256 bonds (distance) P-C4' energy: -77.964 flat angles C4'-P-C4' energy: -87.258 flat angles P-C4'-P energy: -48.745 tors. eta vs tors. theta energy: -66.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -949.352553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.352553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.352553 (E_RNA) where: Base-Base interactions energy: -567.490 where: short stacking energy: -261.906 Base-Backbone interact. energy: -0.398 local terms energy: -381.464868 where: bonds (distance) C4'-P energy: -82.198 bonds (distance) P-C4' energy: -77.094 flat angles C4'-P-C4' energy: -100.369 flat angles P-C4'-P energy: -51.870 tors. eta vs tors. theta energy: -69.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -618.874610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.874610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.874610 (E_RNA) where: Base-Base interactions energy: -352.130 where: short stacking energy: -196.032 Base-Backbone interact. energy: -0.169 local terms energy: -266.575839 where: bonds (distance) C4'-P energy: -65.639 bonds (distance) P-C4' energy: -80.891 flat angles C4'-P-C4' energy: -70.263 flat angles P-C4'-P energy: -38.416 tors. eta vs tors. theta energy: -11.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -541.952894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.952894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.952894 (E_RNA) where: Base-Base interactions energy: -284.583 where: short stacking energy: -161.779 Base-Backbone interact. energy: -1.897 local terms energy: -255.473100 where: bonds (distance) C4'-P energy: -76.243 bonds (distance) P-C4' energy: -79.957 flat angles C4'-P-C4' energy: -61.876 flat angles P-C4'-P energy: -37.266 tors. eta vs tors. theta energy: -0.132 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: 10, replica: 9 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -362.546198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.546198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.546198 (E_RNA) where: Base-Base interactions energy: -118.556 where: short stacking energy: -96.082 Base-Backbone interact. energy: 1.271 local terms energy: -245.261345 where: bonds (distance) C4'-P energy: -74.436 bonds (distance) P-C4' energy: -87.158 flat angles C4'-P-C4' energy: -55.217 flat angles P-C4'-P energy: -40.343 tors. eta vs tors. theta energy: 11.893 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: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1581.478934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.478934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.478934 (E_RNA) where: Base-Base interactions energy: -1085.261 where: short stacking energy: -464.091 Base-Backbone interact. energy: -2.423 local terms energy: -493.794385 where: bonds (distance) C4'-P energy: -90.971 bonds (distance) P-C4' energy: -99.419 flat angles C4'-P-C4' energy: -90.766 flat angles P-C4'-P energy: -71.328 tors. eta vs tors. theta energy: -141.310 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: 2, replica: 8 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1535.362836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.362836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.362836 (E_RNA) where: Base-Base interactions energy: -1055.807 where: short stacking energy: -414.359 Base-Backbone interact. energy: -1.025 local terms energy: -478.530853 where: bonds (distance) C4'-P energy: -86.743 bonds (distance) P-C4' energy: -93.007 flat angles C4'-P-C4' energy: -103.621 flat angles P-C4'-P energy: -67.593 tors. eta vs tors. theta energy: -127.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1500.175618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.175618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.175618 (E_RNA) where: Base-Base interactions energy: -1025.925 where: short stacking energy: -417.999 Base-Backbone interact. energy: -0.522 local terms energy: -473.728688 where: bonds (distance) C4'-P energy: -83.795 bonds (distance) P-C4' energy: -85.942 flat angles C4'-P-C4' energy: -106.218 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -123.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1435.963994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.963994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.963994 (E_RNA) where: Base-Base interactions energy: -951.700 where: short stacking energy: -416.206 Base-Backbone interact. energy: -1.260 local terms energy: -483.004060 where: bonds (distance) C4'-P energy: -76.605 bonds (distance) P-C4' energy: -99.653 flat angles C4'-P-C4' energy: -108.286 flat angles P-C4'-P energy: -70.710 tors. eta vs tors. theta energy: -127.750 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: 3 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1306.982884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.982884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.982884 (E_RNA) where: Base-Base interactions energy: -877.099 where: short stacking energy: -353.877 Base-Backbone interact. energy: -1.179 local terms energy: -428.705158 where: bonds (distance) C4'-P energy: -89.170 bonds (distance) P-C4' energy: -79.643 flat angles C4'-P-C4' energy: -86.018 flat angles P-C4'-P energy: -69.573 tors. eta vs tors. theta energy: -104.301 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: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -992.430972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.430972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.430972 (E_RNA) where: Base-Base interactions energy: -611.105 where: short stacking energy: -291.871 Base-Backbone interact. energy: -1.799 local terms energy: -379.527187 where: bonds (distance) C4'-P energy: -77.811 bonds (distance) P-C4' energy: -88.212 flat angles C4'-P-C4' energy: -82.219 flat angles P-C4'-P energy: -51.648 tors. eta vs tors. theta energy: -79.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -946.575644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.575644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.575644 (E_RNA) where: Base-Base interactions energy: -587.955 where: short stacking energy: -266.301 Base-Backbone interact. energy: -0.925 local terms energy: -357.696265 where: bonds (distance) C4'-P energy: -75.006 bonds (distance) P-C4' energy: -76.242 flat angles C4'-P-C4' energy: -82.663 flat angles P-C4'-P energy: -52.325 tors. eta vs tors. theta energy: -71.461 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: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -647.326397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.326397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.326397 (E_RNA) where: Base-Base interactions energy: -340.439 where: short stacking energy: -186.152 Base-Backbone interact. energy: -0.801 local terms energy: -306.087228 where: bonds (distance) C4'-P energy: -77.810 bonds (distance) P-C4' energy: -88.001 flat angles C4'-P-C4' energy: -73.535 flat angles P-C4'-P energy: -40.141 tors. eta vs tors. theta energy: -26.601 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: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -553.649564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.649564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.649564 (E_RNA) where: Base-Base interactions energy: -278.976 where: short stacking energy: -150.546 Base-Backbone interact. energy: 2.127 local terms energy: -276.800433 where: bonds (distance) C4'-P energy: -78.780 bonds (distance) P-C4' energy: -77.306 flat angles C4'-P-C4' energy: -68.389 flat angles P-C4'-P energy: -41.556 tors. eta vs tors. theta energy: -10.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -358.755793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.755793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.755793 (E_RNA) where: Base-Base interactions energy: -124.586 where: short stacking energy: -104.631 Base-Backbone interact. energy: 1.161 local terms energy: -235.331577 where: bonds (distance) C4'-P energy: -66.716 bonds (distance) P-C4' energy: -67.458 flat angles C4'-P-C4' energy: -77.224 flat angles P-C4'-P energy: -30.079 tors. eta vs tors. theta energy: 6.147 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: 1, replica: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1574.935576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.935576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.935576 (E_RNA) where: Base-Base interactions energy: -1085.716 where: short stacking energy: -436.443 Base-Backbone interact. energy: -0.138 local terms energy: -489.081364 where: bonds (distance) C4'-P energy: -94.836 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -104.176 flat angles P-C4'-P energy: -72.575 tors. eta vs tors. theta energy: -123.557 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: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1541.656671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.656671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.656671 (E_RNA) where: Base-Base interactions energy: -1091.663 where: short stacking energy: -437.948 Base-Backbone interact. energy: 0.100 local terms energy: -450.093901 where: bonds (distance) C4'-P energy: -76.249 bonds (distance) P-C4' energy: -91.647 flat angles C4'-P-C4' energy: -92.659 flat angles P-C4'-P energy: -63.972 tors. eta vs tors. theta energy: -125.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1509.063404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.063404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.063404 (E_RNA) where: Base-Base interactions energy: -1037.890 where: short stacking energy: -417.102 Base-Backbone interact. energy: -0.873 local terms energy: -470.299638 where: bonds (distance) C4'-P energy: -94.467 bonds (distance) P-C4' energy: -83.946 flat angles C4'-P-C4' energy: -96.978 flat angles P-C4'-P energy: -62.490 tors. eta vs tors. theta energy: -132.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1393.765506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.765506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.765506 (E_RNA) where: Base-Base interactions energy: -942.999 where: short stacking energy: -411.966 Base-Backbone interact. energy: -0.084 local terms energy: -450.681931 where: bonds (distance) C4'-P energy: -75.293 bonds (distance) P-C4' energy: -88.387 flat angles C4'-P-C4' energy: -81.121 flat angles P-C4'-P energy: -64.877 tors. eta vs tors. theta energy: -141.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1343.653140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.653140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.653140 (E_RNA) where: Base-Base interactions energy: -906.342 where: short stacking energy: -380.633 Base-Backbone interact. energy: -2.098 local terms energy: -435.213748 where: bonds (distance) C4'-P energy: -78.494 bonds (distance) P-C4' energy: -90.546 flat angles C4'-P-C4' energy: -99.709 flat angles P-C4'-P energy: -57.091 tors. eta vs tors. theta energy: -109.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -996.230790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.230790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.230790 (E_RNA) where: Base-Base interactions energy: -629.400 where: short stacking energy: -307.508 Base-Backbone interact. energy: -1.011 local terms energy: -365.819513 where: bonds (distance) C4'-P energy: -69.398 bonds (distance) P-C4' energy: -88.010 flat angles C4'-P-C4' energy: -89.353 flat angles P-C4'-P energy: -50.202 tors. eta vs tors. theta energy: -68.857 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: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -955.333457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.333457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.333457 (E_RNA) where: Base-Base interactions energy: -593.180 where: short stacking energy: -261.913 Base-Backbone interact. energy: -3.590 local terms energy: -358.563808 where: bonds (distance) C4'-P energy: -76.702 bonds (distance) P-C4' energy: -74.314 flat angles C4'-P-C4' energy: -88.581 flat angles P-C4'-P energy: -63.760 tors. eta vs tors. theta energy: -55.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -623.323502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.323502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.323502 (E_RNA) where: Base-Base interactions energy: -342.940 where: short stacking energy: -185.819 Base-Backbone interact. energy: -1.913 local terms energy: -278.470013 where: bonds (distance) C4'-P energy: -83.716 bonds (distance) P-C4' energy: -73.942 flat angles C4'-P-C4' energy: -61.818 flat angles P-C4'-P energy: -42.270 tors. eta vs tors. theta energy: -16.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -609.970784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.970784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.970784 (E_RNA) where: Base-Base interactions energy: -334.304 where: short stacking energy: -175.970 Base-Backbone interact. energy: -2.142 local terms energy: -273.524787 where: bonds (distance) C4'-P energy: -60.632 bonds (distance) P-C4' energy: -78.103 flat angles C4'-P-C4' energy: -82.381 flat angles P-C4'-P energy: -48.203 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -415.513755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.513755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.513755 (E_RNA) where: Base-Base interactions energy: -181.505 where: short stacking energy: -120.469 Base-Backbone interact. energy: 0.102 local terms energy: -234.110768 where: bonds (distance) C4'-P energy: -78.592 bonds (distance) P-C4' energy: -77.102 flat angles C4'-P-C4' energy: -58.136 flat angles P-C4'-P energy: -37.385 tors. eta vs tors. theta energy: 17.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1568.020770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.020770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.020770 (E_RNA) where: Base-Base interactions energy: -1072.637 where: short stacking energy: -425.187 Base-Backbone interact. energy: -3.387 local terms energy: -491.997384 where: bonds (distance) C4'-P energy: -93.610 bonds (distance) P-C4' energy: -94.022 flat angles C4'-P-C4' energy: -104.939 flat angles P-C4'-P energy: -76.637 tors. eta vs tors. theta energy: -122.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1528.429672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.429672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.429672 (E_RNA) where: Base-Base interactions energy: -1037.160 where: short stacking energy: -442.194 Base-Backbone interact. energy: -2.798 local terms energy: -488.472011 where: bonds (distance) C4'-P energy: -90.569 bonds (distance) P-C4' energy: -80.613 flat angles C4'-P-C4' energy: -99.613 flat angles P-C4'-P energy: -74.991 tors. eta vs tors. theta energy: -142.686 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: 3, replica: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1505.390190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.390190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.390190 (E_RNA) where: Base-Base interactions energy: -1059.449 where: short stacking energy: -428.857 Base-Backbone interact. energy: -1.796 local terms energy: -444.144438 where: bonds (distance) C4'-P energy: -89.002 bonds (distance) P-C4' energy: -72.844 flat angles C4'-P-C4' energy: -96.106 flat angles P-C4'-P energy: -65.128 tors. eta vs tors. theta energy: -121.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1414.545337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.545337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.545337 (E_RNA) where: Base-Base interactions energy: -941.738 where: short stacking energy: -431.285 Base-Backbone interact. energy: -0.899 local terms energy: -471.908263 where: bonds (distance) C4'-P energy: -81.296 bonds (distance) P-C4' energy: -85.786 flat angles C4'-P-C4' energy: -92.733 flat angles P-C4'-P energy: -67.217 tors. eta vs tors. theta energy: -144.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1338.585410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.585410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.585410 (E_RNA) where: Base-Base interactions energy: -934.224 where: short stacking energy: -400.625 Base-Backbone interact. energy: -2.453 local terms energy: -401.907942 where: bonds (distance) C4'-P energy: -64.967 bonds (distance) P-C4' energy: -70.791 flat angles C4'-P-C4' energy: -97.158 flat angles P-C4'-P energy: -58.723 tors. eta vs tors. theta energy: -110.269 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: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -997.479936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.479936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.479936 (E_RNA) where: Base-Base interactions energy: -613.746 where: short stacking energy: -274.339 Base-Backbone interact. energy: 6.986 local terms energy: -390.720542 where: bonds (distance) C4'-P energy: -81.790 bonds (distance) P-C4' energy: -82.783 flat angles C4'-P-C4' energy: -91.332 flat angles P-C4'-P energy: -65.513 tors. eta vs tors. theta energy: -69.303 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: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -956.699296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.699296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.699296 (E_RNA) where: Base-Base interactions energy: -610.139 where: short stacking energy: -266.989 Base-Backbone interact. energy: 0.123 local terms energy: -346.683228 where: bonds (distance) C4'-P energy: -71.627 bonds (distance) P-C4' energy: -72.995 flat angles C4'-P-C4' energy: -82.287 flat angles P-C4'-P energy: -60.552 tors. eta vs tors. theta energy: -59.222 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: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -619.132726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.132726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.132726 (E_RNA) where: Base-Base interactions energy: -321.321 where: short stacking energy: -186.929 Base-Backbone interact. energy: -2.122 local terms energy: -295.689982 where: bonds (distance) C4'-P energy: -68.176 bonds (distance) P-C4' energy: -81.159 flat angles C4'-P-C4' energy: -77.151 flat angles P-C4'-P energy: -52.314 tors. eta vs tors. theta energy: -16.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -560.415727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.415727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.415727 (E_RNA) where: Base-Base interactions energy: -285.011 where: short stacking energy: -138.072 Base-Backbone interact. energy: -2.337 local terms energy: -273.067588 where: bonds (distance) C4'-P energy: -77.695 bonds (distance) P-C4' energy: -82.225 flat angles C4'-P-C4' energy: -73.407 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -399.114343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.114343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.114343 (E_RNA) where: Base-Base interactions energy: -140.721 where: short stacking energy: -109.627 Base-Backbone interact. energy: 0.339 local terms energy: -258.731518 where: bonds (distance) C4'-P energy: -68.766 bonds (distance) P-C4' energy: -73.757 flat angles C4'-P-C4' energy: -63.751 flat angles P-C4'-P energy: -47.910 tors. eta vs tors. theta energy: -4.547 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: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1573.318811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.318811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.318811 (E_RNA) where: Base-Base interactions energy: -1083.542 where: short stacking energy: -443.578 Base-Backbone interact. energy: -1.028 local terms energy: -488.749667 where: bonds (distance) C4'-P energy: -94.443 bonds (distance) P-C4' energy: -85.966 flat angles C4'-P-C4' energy: -112.270 flat angles P-C4'-P energy: -71.359 tors. eta vs tors. theta energy: -124.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1529.630959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.630959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.630959 (E_RNA) where: Base-Base interactions energy: -1040.073 where: short stacking energy: -419.950 Base-Backbone interact. energy: -4.078 local terms energy: -485.479880 where: bonds (distance) C4'-P energy: -89.021 bonds (distance) P-C4' energy: -93.712 flat angles C4'-P-C4' energy: -98.207 flat angles P-C4'-P energy: -66.996 tors. eta vs tors. theta energy: -137.543 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: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1528.117306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.117306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.117306 (E_RNA) where: Base-Base interactions energy: -1058.474 where: short stacking energy: -448.035 Base-Backbone interact. energy: 0.855 local terms energy: -470.498395 where: bonds (distance) C4'-P energy: -93.270 bonds (distance) P-C4' energy: -87.286 flat angles C4'-P-C4' energy: -90.898 flat angles P-C4'-P energy: -57.373 tors. eta vs tors. theta energy: -141.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1429.691471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.691471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.691471 (E_RNA) where: Base-Base interactions energy: -972.716 where: short stacking energy: -412.050 Base-Backbone interact. energy: -1.076 local terms energy: -455.899210 where: bonds (distance) C4'-P energy: -82.935 bonds (distance) P-C4' energy: -81.178 flat angles C4'-P-C4' energy: -95.043 flat angles P-C4'-P energy: -64.258 tors. eta vs tors. theta energy: -132.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1288.452156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.452156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.452156 (E_RNA) where: Base-Base interactions energy: -883.540 where: short stacking energy: -352.404 Base-Backbone interact. energy: 1.518 local terms energy: -406.430043 where: bonds (distance) C4'-P energy: -77.902 bonds (distance) P-C4' energy: -89.125 flat angles C4'-P-C4' energy: -80.303 flat angles P-C4'-P energy: -56.939 tors. eta vs tors. theta energy: -102.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -949.640152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.640152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.640152 (E_RNA) where: Base-Base interactions energy: -562.121 where: short stacking energy: -261.689 Base-Backbone interact. energy: -0.980 local terms energy: -386.540118 where: bonds (distance) C4'-P energy: -85.272 bonds (distance) P-C4' energy: -85.951 flat angles C4'-P-C4' energy: -89.767 flat angles P-C4'-P energy: -68.658 tors. eta vs tors. theta energy: -56.892 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: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -947.955067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.955067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.955067 (E_RNA) where: Base-Base interactions energy: -610.253 where: short stacking energy: -284.386 Base-Backbone interact. energy: 0.901 local terms energy: -338.602951 where: bonds (distance) C4'-P energy: -77.122 bonds (distance) P-C4' energy: -64.483 flat angles C4'-P-C4' energy: -87.434 flat angles P-C4'-P energy: -53.721 tors. eta vs tors. theta energy: -55.843 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: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -626.584827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.584827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.584827 (E_RNA) where: Base-Base interactions energy: -330.880 where: short stacking energy: -187.578 Base-Backbone interact. energy: -0.447 local terms energy: -295.257761 where: bonds (distance) C4'-P energy: -66.730 bonds (distance) P-C4' energy: -87.559 flat angles C4'-P-C4' energy: -75.085 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: -18.373 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: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -584.620115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.620115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.620115 (E_RNA) where: Base-Base interactions energy: -303.531 where: short stacking energy: -168.761 Base-Backbone interact. energy: -4.249 local terms energy: -276.840605 where: bonds (distance) C4'-P energy: -62.542 bonds (distance) P-C4' energy: -95.470 flat angles C4'-P-C4' energy: -60.441 flat angles P-C4'-P energy: -36.352 tors. eta vs tors. theta energy: -22.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -343.515217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.515217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.515217 (E_RNA) where: Base-Base interactions energy: -108.518 where: short stacking energy: -97.293 Base-Backbone interact. energy: 2.458 local terms energy: -237.455464 where: bonds (distance) C4'-P energy: -71.412 bonds (distance) P-C4' energy: -72.258 flat angles C4'-P-C4' energy: -54.403 flat angles P-C4'-P energy: -47.969 tors. eta vs tors. theta energy: 8.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1572.850662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.850662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.850662 (E_RNA) where: Base-Base interactions energy: -1107.361 where: short stacking energy: -466.977 Base-Backbone interact. energy: -0.216 local terms energy: -465.273279 where: bonds (distance) C4'-P energy: -80.466 bonds (distance) P-C4' energy: -80.716 flat angles C4'-P-C4' energy: -110.679 flat angles P-C4'-P energy: -55.568 tors. eta vs tors. theta energy: -137.845 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: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1525.845967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.845967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.845967 (E_RNA) where: Base-Base interactions energy: -1058.758 where: short stacking energy: -430.834 Base-Backbone interact. energy: 1.215 local terms energy: -468.303110 where: bonds (distance) C4'-P energy: -76.083 bonds (distance) P-C4' energy: -97.176 flat angles C4'-P-C4' energy: -103.006 flat angles P-C4'-P energy: -59.527 tors. eta vs tors. theta energy: -132.511 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: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1545.586996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.586996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.586996 (E_RNA) where: Base-Base interactions energy: -1070.457 where: short stacking energy: -441.571 Base-Backbone interact. energy: -2.613 local terms energy: -472.516361 where: bonds (distance) C4'-P energy: -87.647 bonds (distance) P-C4' energy: -82.569 flat angles C4'-P-C4' energy: -94.352 flat angles P-C4'-P energy: -71.156 tors. eta vs tors. theta energy: -136.791 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: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1407.171803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.171803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.171803 (E_RNA) where: Base-Base interactions energy: -964.297 where: short stacking energy: -415.340 Base-Backbone interact. energy: 0.828 local terms energy: -443.702985 where: bonds (distance) C4'-P energy: -84.801 bonds (distance) P-C4' energy: -86.400 flat angles C4'-P-C4' energy: -89.957 flat angles P-C4'-P energy: -62.043 tors. eta vs tors. theta energy: -120.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1281.688270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.688270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.688270 (E_RNA) where: Base-Base interactions energy: -881.117 where: short stacking energy: -376.336 Base-Backbone interact. energy: -1.099 local terms energy: -399.472580 where: bonds (distance) C4'-P energy: -70.892 bonds (distance) P-C4' energy: -76.552 flat angles C4'-P-C4' energy: -93.657 flat angles P-C4'-P energy: -54.845 tors. eta vs tors. theta energy: -103.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -981.431503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.431503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.431503 (E_RNA) where: Base-Base interactions energy: -608.356 where: short stacking energy: -281.313 Base-Backbone interact. energy: -2.222 local terms energy: -370.853001 where: bonds (distance) C4'-P energy: -78.558 bonds (distance) P-C4' energy: -91.335 flat angles C4'-P-C4' energy: -83.602 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: -65.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -881.223630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.223630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.223630 (E_RNA) where: Base-Base interactions energy: -537.722 where: short stacking energy: -255.931 Base-Backbone interact. energy: -1.083 local terms energy: -342.418918 where: bonds (distance) C4'-P energy: -72.294 bonds (distance) P-C4' energy: -78.135 flat angles C4'-P-C4' energy: -80.020 flat angles P-C4'-P energy: -61.339 tors. eta vs tors. theta energy: -50.631 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: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -584.312788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.312788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.312788 (E_RNA) where: Base-Base interactions energy: -289.850 where: short stacking energy: -174.269 Base-Backbone interact. energy: -1.117 local terms energy: -293.345798 where: bonds (distance) C4'-P energy: -74.430 bonds (distance) P-C4' energy: -77.346 flat angles C4'-P-C4' energy: -81.251 flat angles P-C4'-P energy: -42.303 tors. eta vs tors. theta energy: -18.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -533.988189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.988189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.988189 (E_RNA) where: Base-Base interactions energy: -280.419 where: short stacking energy: -158.029 Base-Backbone interact. energy: 0.432 local terms energy: -254.001189 where: bonds (distance) C4'-P energy: -90.004 bonds (distance) P-C4' energy: -62.252 flat angles C4'-P-C4' energy: -68.292 flat angles P-C4'-P energy: -39.987 tors. eta vs tors. theta energy: 6.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -366.832273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.832273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.832273 (E_RNA) where: Base-Base interactions energy: -116.753 where: short stacking energy: -99.235 Base-Backbone interact. energy: 3.046 local terms energy: -253.125067 where: bonds (distance) C4'-P energy: -72.145 bonds (distance) P-C4' energy: -80.534 flat angles C4'-P-C4' energy: -67.928 flat angles P-C4'-P energy: -41.079 tors. eta vs tors. theta energy: 8.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1567.933040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.933040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.933040 (E_RNA) where: Base-Base interactions energy: -1090.706 where: short stacking energy: -444.767 Base-Backbone interact. energy: -1.750 local terms energy: -475.476767 where: bonds (distance) C4'-P energy: -100.015 bonds (distance) P-C4' energy: -89.204 flat angles C4'-P-C4' energy: -96.385 flat angles P-C4'-P energy: -60.189 tors. eta vs tors. theta energy: -129.684 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: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1531.962268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.962268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.962268 (E_RNA) where: Base-Base interactions energy: -1059.657 where: short stacking energy: -433.406 Base-Backbone interact. energy: -0.458 local terms energy: -471.847200 where: bonds (distance) C4'-P energy: -93.660 bonds (distance) P-C4' energy: -73.787 flat angles C4'-P-C4' energy: -102.332 flat angles P-C4'-P energy: -65.532 tors. eta vs tors. theta energy: -136.537 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: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1509.388931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.388931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.388931 (E_RNA) where: Base-Base interactions energy: -1025.026 where: short stacking energy: -438.264 Base-Backbone interact. energy: -2.809 local terms energy: -481.554146 where: bonds (distance) C4'-P energy: -86.321 bonds (distance) P-C4' energy: -83.289 flat angles C4'-P-C4' energy: -106.458 flat angles P-C4'-P energy: -69.803 tors. eta vs tors. theta energy: -135.684 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: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1396.944740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.944740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.944740 (E_RNA) where: Base-Base interactions energy: -967.216 where: short stacking energy: -403.584 Base-Backbone interact. energy: -2.208 local terms energy: -427.520623 where: bonds (distance) C4'-P energy: -85.005 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -95.489 flat angles P-C4'-P energy: -60.868 tors. eta vs tors. theta energy: -120.030 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: 5, replica: 3 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1304.930908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.930908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.930908 (E_RNA) where: Base-Base interactions energy: -874.814 where: short stacking energy: -360.817 Base-Backbone interact. energy: -0.275 local terms energy: -429.841929 where: bonds (distance) C4'-P energy: -90.607 bonds (distance) P-C4' energy: -77.765 flat angles C4'-P-C4' energy: -99.955 flat angles P-C4'-P energy: -51.215 tors. eta vs tors. theta energy: -110.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -995.258509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.258509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.258509 (E_RNA) where: Base-Base interactions energy: -620.398 where: short stacking energy: -293.283 Base-Backbone interact. energy: -1.388 local terms energy: -373.472255 where: bonds (distance) C4'-P energy: -75.338 bonds (distance) P-C4' energy: -89.248 flat angles C4'-P-C4' energy: -75.715 flat angles P-C4'-P energy: -50.922 tors. eta vs tors. theta energy: -82.249 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: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -897.579738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.579738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.579738 (E_RNA) where: Base-Base interactions energy: -557.892 where: short stacking energy: -263.084 Base-Backbone interact. energy: -1.691 local terms energy: -337.996705 where: bonds (distance) C4'-P energy: -84.575 bonds (distance) P-C4' energy: -68.206 flat angles C4'-P-C4' energy: -74.618 flat angles P-C4'-P energy: -52.695 tors. eta vs tors. theta energy: -57.902 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: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -608.978384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.978384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.978384 (E_RNA) where: Base-Base interactions energy: -301.190 where: short stacking energy: -164.151 Base-Backbone interact. energy: -0.917 local terms energy: -306.871081 where: bonds (distance) C4'-P energy: -74.030 bonds (distance) P-C4' energy: -72.851 flat angles C4'-P-C4' energy: -91.931 flat angles P-C4'-P energy: -50.862 tors. eta vs tors. theta energy: -17.197 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: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -569.997179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.997179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.997179 (E_RNA) where: Base-Base interactions energy: -282.968 where: short stacking energy: -155.420 Base-Backbone interact. energy: -1.674 local terms energy: -285.355036 where: bonds (distance) C4'-P energy: -81.558 bonds (distance) P-C4' energy: -89.943 flat angles C4'-P-C4' energy: -76.595 flat angles P-C4'-P energy: -31.733 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -366.852883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.852883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.852883 (E_RNA) where: Base-Base interactions energy: -115.178 where: short stacking energy: -95.400 Base-Backbone interact. energy: -1.010 local terms energy: -250.664357 where: bonds (distance) C4'-P energy: -78.929 bonds (distance) P-C4' energy: -82.445 flat angles C4'-P-C4' energy: -68.914 flat angles P-C4'-P energy: -39.163 tors. eta vs tors. theta energy: 18.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1591.460133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.460133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.460133 (E_RNA) where: Base-Base interactions energy: -1093.743 where: short stacking energy: -442.816 Base-Backbone interact. energy: -0.903 local terms energy: -496.813310 where: bonds (distance) C4'-P energy: -86.319 bonds (distance) P-C4' energy: -98.974 flat angles C4'-P-C4' energy: -103.107 flat angles P-C4'-P energy: -76.681 tors. eta vs tors. theta energy: -131.732 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: 4 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1545.684189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.684189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.684189 (E_RNA) where: Base-Base interactions energy: -1066.300 where: short stacking energy: -447.542 Base-Backbone interact. energy: -1.949 local terms energy: -477.436128 where: bonds (distance) C4'-P energy: -95.648 bonds (distance) P-C4' energy: -82.079 flat angles C4'-P-C4' energy: -99.853 flat angles P-C4'-P energy: -70.645 tors. eta vs tors. theta energy: -129.211 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: 2 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1532.782250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.782250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.782250 (E_RNA) where: Base-Base interactions energy: -1046.228 where: short stacking energy: -431.300 Base-Backbone interact. energy: -3.231 local terms energy: -483.322498 where: bonds (distance) C4'-P energy: -90.707 bonds (distance) P-C4' energy: -92.395 flat angles C4'-P-C4' energy: -99.512 flat angles P-C4'-P energy: -70.228 tors. eta vs tors. theta energy: -130.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1387.429129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.429129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.429129 (E_RNA) where: Base-Base interactions energy: -961.015 where: short stacking energy: -392.174 Base-Backbone interact. energy: -1.647 local terms energy: -424.766509 where: bonds (distance) C4'-P energy: -73.400 bonds (distance) P-C4' energy: -80.734 flat angles C4'-P-C4' energy: -98.730 flat angles P-C4'-P energy: -57.275 tors. eta vs tors. theta energy: -114.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1378.827895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.827895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.827895 (E_RNA) where: Base-Base interactions energy: -940.391 where: short stacking energy: -376.154 Base-Backbone interact. energy: -4.491 local terms energy: -433.946021 where: bonds (distance) C4'-P energy: -86.135 bonds (distance) P-C4' energy: -75.834 flat angles C4'-P-C4' energy: -98.914 flat angles P-C4'-P energy: -63.400 tors. eta vs tors. theta energy: -109.663 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: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -950.672783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.672783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.672783 (E_RNA) where: Base-Base interactions energy: -593.468 where: short stacking energy: -279.994 Base-Backbone interact. energy: -0.727 local terms energy: -356.477693 where: bonds (distance) C4'-P energy: -68.404 bonds (distance) P-C4' energy: -79.486 flat angles C4'-P-C4' energy: -85.620 flat angles P-C4'-P energy: -57.738 tors. eta vs tors. theta energy: -65.230 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: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -855.157268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.157268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.157268 (E_RNA) where: Base-Base interactions energy: -519.240 where: short stacking energy: -234.100 Base-Backbone interact. energy: -0.229 local terms energy: -335.688287 where: bonds (distance) C4'-P energy: -89.527 bonds (distance) P-C4' energy: -73.377 flat angles C4'-P-C4' energy: -78.213 flat angles P-C4'-P energy: -50.677 tors. eta vs tors. theta energy: -43.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -559.637220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.637220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.637220 (E_RNA) where: Base-Base interactions energy: -290.337 where: short stacking energy: -172.134 Base-Backbone interact. energy: 1.371 local terms energy: -270.671194 where: bonds (distance) C4'-P energy: -62.450 bonds (distance) P-C4' energy: -79.489 flat angles C4'-P-C4' energy: -67.361 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -13.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -563.138756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.138756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.138756 (E_RNA) where: Base-Base interactions energy: -294.449 where: short stacking energy: -166.337 Base-Backbone interact. energy: 0.597 local terms energy: -269.287323 where: bonds (distance) C4'-P energy: -76.949 bonds (distance) P-C4' energy: -76.547 flat angles C4'-P-C4' energy: -64.020 flat angles P-C4'-P energy: -33.277 tors. eta vs tors. theta energy: -18.494 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: 10, replica: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -389.438533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.438533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.438533 (E_RNA) where: Base-Base interactions energy: -130.326 where: short stacking energy: -95.950 Base-Backbone interact. energy: 0.865 local terms energy: -259.978084 where: bonds (distance) C4'-P energy: -81.636 bonds (distance) P-C4' energy: -81.659 flat angles C4'-P-C4' energy: -56.986 flat angles P-C4'-P energy: -48.585 tors. eta vs tors. theta energy: 8.888 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: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1552.974031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.974031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.974031 (E_RNA) where: Base-Base interactions energy: -1063.259 where: short stacking energy: -448.242 Base-Backbone interact. energy: -0.468 local terms energy: -489.246899 where: bonds (distance) C4'-P energy: -86.605 bonds (distance) P-C4' energy: -100.052 flat angles C4'-P-C4' energy: -105.258 flat angles P-C4'-P energy: -71.283 tors. eta vs tors. theta energy: -126.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1526.370207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.370207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.370207 (E_RNA) where: Base-Base interactions energy: -1032.124 where: short stacking energy: -430.233 Base-Backbone interact. energy: -1.690 local terms energy: -492.556312 where: bonds (distance) C4'-P energy: -89.845 bonds (distance) P-C4' energy: -100.425 flat angles C4'-P-C4' energy: -107.774 flat angles P-C4'-P energy: -63.345 tors. eta vs tors. theta energy: -131.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1506.795261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.795261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.795261 (E_RNA) where: Base-Base interactions energy: -1056.599 where: short stacking energy: -431.338 Base-Backbone interact. energy: -1.585 local terms energy: -448.610924 where: bonds (distance) C4'-P energy: -81.822 bonds (distance) P-C4' energy: -75.025 flat angles C4'-P-C4' energy: -104.460 flat angles P-C4'-P energy: -62.282 tors. eta vs tors. theta energy: -125.022 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: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1375.471666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.471666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.471666 (E_RNA) where: Base-Base interactions energy: -930.635 where: short stacking energy: -392.515 Base-Backbone interact. energy: -2.294 local terms energy: -442.542684 where: bonds (distance) C4'-P energy: -76.312 bonds (distance) P-C4' energy: -79.860 flat angles C4'-P-C4' energy: -102.051 flat angles P-C4'-P energy: -59.570 tors. eta vs tors. theta energy: -124.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1405.066827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.066827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.066827 (E_RNA) where: Base-Base interactions energy: -953.151 where: short stacking energy: -407.330 Base-Backbone interact. energy: -1.553 local terms energy: -450.362584 where: bonds (distance) C4'-P energy: -78.298 bonds (distance) P-C4' energy: -83.342 flat angles C4'-P-C4' energy: -103.295 flat angles P-C4'-P energy: -64.399 tors. eta vs tors. theta energy: -121.028 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: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -963.313738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.313738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.313738 (E_RNA) where: Base-Base interactions energy: -576.367 where: short stacking energy: -265.242 Base-Backbone interact. energy: 0.235 local terms energy: -387.182260 where: bonds (distance) C4'-P energy: -82.207 bonds (distance) P-C4' energy: -90.199 flat angles C4'-P-C4' energy: -84.195 flat angles P-C4'-P energy: -66.139 tors. eta vs tors. theta energy: -64.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -866.294862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.294862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.294862 (E_RNA) where: Base-Base interactions energy: -528.182 where: short stacking energy: -260.275 Base-Backbone interact. energy: 1.041 local terms energy: -339.153908 where: bonds (distance) C4'-P energy: -83.980 bonds (distance) P-C4' energy: -72.955 flat angles C4'-P-C4' energy: -80.221 flat angles P-C4'-P energy: -50.628 tors. eta vs tors. theta energy: -51.370 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: 8, replica: 10 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -585.643484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.643484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.643484 (E_RNA) where: Base-Base interactions energy: -301.123 where: short stacking energy: -150.196 Base-Backbone interact. energy: -1.393 local terms energy: -283.126549 where: bonds (distance) C4'-P energy: -82.236 bonds (distance) P-C4' energy: -88.171 flat angles C4'-P-C4' energy: -60.627 flat angles P-C4'-P energy: -45.949 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -561.557898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.557898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.557898 (E_RNA) where: Base-Base interactions energy: -296.876 where: short stacking energy: -175.383 Base-Backbone interact. energy: 2.115 local terms energy: -266.796837 where: bonds (distance) C4'-P energy: -67.928 bonds (distance) P-C4' energy: -80.241 flat angles C4'-P-C4' energy: -77.001 flat angles P-C4'-P energy: -25.066 tors. eta vs tors. theta energy: -16.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -346.652335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.652335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.652335 (E_RNA) where: Base-Base interactions energy: -88.845 where: short stacking energy: -77.196 Base-Backbone interact. energy: -2.434 local terms energy: -255.373463 where: bonds (distance) C4'-P energy: -77.156 bonds (distance) P-C4' energy: -84.302 flat angles C4'-P-C4' energy: -65.593 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: 18.744 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: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1557.518698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.518698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.518698 (E_RNA) where: Base-Base interactions energy: -1080.610 where: short stacking energy: -445.570 Base-Backbone interact. energy: -0.228 local terms energy: -476.680384 where: bonds (distance) C4'-P energy: -98.375 bonds (distance) P-C4' energy: -82.606 flat angles C4'-P-C4' energy: -104.392 flat angles P-C4'-P energy: -73.626 tors. eta vs tors. theta energy: -117.681 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: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1539.306282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.306282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.306282 (E_RNA) where: Base-Base interactions energy: -1057.458 where: short stacking energy: -437.308 Base-Backbone interact. energy: -1.148 local terms energy: -480.700618 where: bonds (distance) C4'-P energy: -82.886 bonds (distance) P-C4' energy: -91.461 flat angles C4'-P-C4' energy: -99.520 flat angles P-C4'-P energy: -73.963 tors. eta vs tors. theta energy: -132.871 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: 4 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1472.647298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.647298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.647298 (E_RNA) where: Base-Base interactions energy: -994.389 where: short stacking energy: -416.627 Base-Backbone interact. energy: -1.105 local terms energy: -477.153040 where: bonds (distance) C4'-P energy: -88.410 bonds (distance) P-C4' energy: -89.167 flat angles C4'-P-C4' energy: -94.821 flat angles P-C4'-P energy: -69.775 tors. eta vs tors. theta energy: -134.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1451.914203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.914203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.914203 (E_RNA) where: Base-Base interactions energy: -990.546 where: short stacking energy: -440.920 Base-Backbone interact. energy: -0.342 local terms energy: -461.025819 where: bonds (distance) C4'-P energy: -75.289 bonds (distance) P-C4' energy: -93.439 flat angles C4'-P-C4' energy: -93.668 flat angles P-C4'-P energy: -72.349 tors. eta vs tors. theta energy: -126.280 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: 3 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1335.501353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.501353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.501353 (E_RNA) where: Base-Base interactions energy: -895.422 where: short stacking energy: -381.411 Base-Backbone interact. energy: -2.140 local terms energy: -437.939292 where: bonds (distance) C4'-P energy: -91.219 bonds (distance) P-C4' energy: -74.689 flat angles C4'-P-C4' energy: -93.684 flat angles P-C4'-P energy: -66.047 tors. eta vs tors. theta energy: -112.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -981.428127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.428127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.428127 (E_RNA) where: Base-Base interactions energy: -591.743 where: short stacking energy: -284.226 Base-Backbone interact. energy: 1.376 local terms energy: -391.061734 where: bonds (distance) C4'-P energy: -81.212 bonds (distance) P-C4' energy: -81.846 flat angles C4'-P-C4' energy: -100.918 flat angles P-C4'-P energy: -55.598 tors. eta vs tors. theta energy: -71.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -818.052716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.052716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.052716 (E_RNA) where: Base-Base interactions energy: -481.192 where: short stacking energy: -244.522 Base-Backbone interact. energy: -2.885 local terms energy: -333.975122 where: bonds (distance) C4'-P energy: -67.710 bonds (distance) P-C4' energy: -91.314 flat angles C4'-P-C4' energy: -78.724 flat angles P-C4'-P energy: -41.916 tors. eta vs tors. theta energy: -54.312 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: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -594.900710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.900710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.900710 (E_RNA) where: Base-Base interactions energy: -320.811 where: short stacking energy: -160.063 Base-Backbone interact. energy: 0.528 local terms energy: -274.616840 where: bonds (distance) C4'-P energy: -75.105 bonds (distance) P-C4' energy: -88.572 flat angles C4'-P-C4' energy: -80.297 flat angles P-C4'-P energy: -35.475 tors. eta vs tors. theta energy: 4.833 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: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -550.071564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.071564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.071564 (E_RNA) where: Base-Base interactions energy: -294.017 where: short stacking energy: -154.537 Base-Backbone interact. energy: 0.405 local terms energy: -256.459314 where: bonds (distance) C4'-P energy: -72.950 bonds (distance) P-C4' energy: -77.570 flat angles C4'-P-C4' energy: -68.996 flat angles P-C4'-P energy: -37.404 tors. eta vs tors. theta energy: 0.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -350.664622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.664622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.664622 (E_RNA) where: Base-Base interactions energy: -120.758 where: short stacking energy: -92.761 Base-Backbone interact. energy: 4.068 local terms energy: -233.974989 where: bonds (distance) C4'-P energy: -67.340 bonds (distance) P-C4' energy: -85.726 flat angles C4'-P-C4' energy: -53.761 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: 12.721 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: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1566.288229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.288229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.288229 (E_RNA) where: Base-Base interactions energy: -1081.418 where: short stacking energy: -452.453 Base-Backbone interact. energy: -2.982 local terms energy: -481.888350 where: bonds (distance) C4'-P energy: -90.235 bonds (distance) P-C4' energy: -94.874 flat angles C4'-P-C4' energy: -95.035 flat angles P-C4'-P energy: -68.911 tors. eta vs tors. theta energy: -132.833 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: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1557.823708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.823708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.823708 (E_RNA) where: Base-Base interactions energy: -1081.969 where: short stacking energy: -458.536 Base-Backbone interact. energy: -0.505 local terms energy: -475.350517 where: bonds (distance) C4'-P energy: -88.982 bonds (distance) P-C4' energy: -93.337 flat angles C4'-P-C4' energy: -100.859 flat angles P-C4'-P energy: -66.744 tors. eta vs tors. theta energy: -125.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1474.341456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.341456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.341456 (E_RNA) where: Base-Base interactions energy: -990.270 where: short stacking energy: -423.795 Base-Backbone interact. energy: -0.264 local terms energy: -483.807680 where: bonds (distance) C4'-P energy: -89.115 bonds (distance) P-C4' energy: -97.889 flat angles C4'-P-C4' energy: -105.252 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -128.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1424.173203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.173203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.173203 (E_RNA) where: Base-Base interactions energy: -985.843 where: short stacking energy: -384.377 Base-Backbone interact. energy: -2.907 local terms energy: -435.423465 where: bonds (distance) C4'-P energy: -81.696 bonds (distance) P-C4' energy: -83.618 flat angles C4'-P-C4' energy: -90.224 flat angles P-C4'-P energy: -59.894 tors. eta vs tors. theta energy: -119.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1298.492947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.492947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.492947 (E_RNA) where: Base-Base interactions energy: -899.808 where: short stacking energy: -364.388 Base-Backbone interact. energy: -1.180 local terms energy: -397.504986 where: bonds (distance) C4'-P energy: -81.575 bonds (distance) P-C4' energy: -71.886 flat angles C4'-P-C4' energy: -89.309 flat angles P-C4'-P energy: -51.101 tors. eta vs tors. theta energy: -103.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -985.192683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.192683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.192683 (E_RNA) where: Base-Base interactions energy: -634.482 where: short stacking energy: -305.171 Base-Backbone interact. energy: -2.797 local terms energy: -347.913915 where: bonds (distance) C4'-P energy: -65.105 bonds (distance) P-C4' energy: -81.417 flat angles C4'-P-C4' energy: -83.831 flat angles P-C4'-P energy: -39.315 tors. eta vs tors. theta energy: -78.246 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: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -853.563539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.563539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.563539 (E_RNA) where: Base-Base interactions energy: -490.841 where: short stacking energy: -243.043 Base-Backbone interact. energy: -1.738 local terms energy: -360.984616 where: bonds (distance) C4'-P energy: -86.675 bonds (distance) P-C4' energy: -86.172 flat angles C4'-P-C4' energy: -87.453 flat angles P-C4'-P energy: -50.691 tors. eta vs tors. theta energy: -49.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -576.977016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.977016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.977016 (E_RNA) where: Base-Base interactions energy: -308.185 where: short stacking energy: -187.428 Base-Backbone interact. energy: 5.657 local terms energy: -274.449651 where: bonds (distance) C4'-P energy: -68.537 bonds (distance) P-C4' energy: -74.951 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -43.465 tors. eta vs tors. theta energy: -16.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -541.918421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.918421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.918421 (E_RNA) where: Base-Base interactions energy: -271.815 where: short stacking energy: -159.115 Base-Backbone interact. energy: -1.708 local terms energy: -268.395608 where: bonds (distance) C4'-P energy: -79.141 bonds (distance) P-C4' energy: -76.493 flat angles C4'-P-C4' energy: -73.698 flat angles P-C4'-P energy: -31.864 tors. eta vs tors. theta energy: -7.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -352.243245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.243245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.243245 (E_RNA) where: Base-Base interactions energy: -113.707 where: short stacking energy: -91.820 Base-Backbone interact. energy: 3.060 local terms energy: -241.596201 where: bonds (distance) C4'-P energy: -72.487 bonds (distance) P-C4' energy: -76.865 flat angles C4'-P-C4' energy: -59.714 flat angles P-C4'-P energy: -43.139 tors. eta vs tors. theta energy: 10.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1575.361855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.361855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.361855 (E_RNA) where: Base-Base interactions energy: -1088.026 where: short stacking energy: -443.178 Base-Backbone interact. energy: -1.191 local terms energy: -486.144216 where: bonds (distance) C4'-P energy: -94.158 bonds (distance) P-C4' energy: -96.582 flat angles C4'-P-C4' energy: -101.924 flat angles P-C4'-P energy: -62.134 tors. eta vs tors. theta energy: -131.346 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: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1581.074406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.074406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.074406 (E_RNA) where: Base-Base interactions energy: -1086.822 where: short stacking energy: -449.117 Base-Backbone interact. energy: -1.760 local terms energy: -492.493313 where: bonds (distance) C4'-P energy: -83.807 bonds (distance) P-C4' energy: -99.430 flat angles C4'-P-C4' energy: -104.302 flat angles P-C4'-P energy: -70.285 tors. eta vs tors. theta energy: -134.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1474.829541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.829541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.829541 (E_RNA) where: Base-Base interactions energy: -1000.808 where: short stacking energy: -452.801 Base-Backbone interact. energy: -0.808 local terms energy: -473.213285 where: bonds (distance) C4'-P energy: -70.812 bonds (distance) P-C4' energy: -99.268 flat angles C4'-P-C4' energy: -97.960 flat angles P-C4'-P energy: -62.970 tors. eta vs tors. theta energy: -142.203 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: 271 Temperature: 1.050000 Total energy: -1407.529163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.529163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.529163 (E_RNA) where: Base-Base interactions energy: -969.240 where: short stacking energy: -395.361 Base-Backbone interact. energy: -0.901 local terms energy: -437.388031 where: bonds (distance) C4'-P energy: -88.134 bonds (distance) P-C4' energy: -88.000 flat angles C4'-P-C4' energy: -87.547 flat angles P-C4'-P energy: -52.601 tors. eta vs tors. theta energy: -121.105 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: 5, replica: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1340.460065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.460065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.460065 (E_RNA) where: Base-Base interactions energy: -915.475 where: short stacking energy: -384.894 Base-Backbone interact. energy: -1.146 local terms energy: -423.838913 where: bonds (distance) C4'-P energy: -75.718 bonds (distance) P-C4' energy: -85.388 flat angles C4'-P-C4' energy: -85.151 flat angles P-C4'-P energy: -59.671 tors. eta vs tors. theta energy: -117.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1008.722555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.722555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.722555 (E_RNA) where: Base-Base interactions energy: -636.123 where: short stacking energy: -295.703 Base-Backbone interact. energy: -0.534 local terms energy: -372.065582 where: bonds (distance) C4'-P energy: -88.815 bonds (distance) P-C4' energy: -84.220 flat angles C4'-P-C4' energy: -86.656 flat angles P-C4'-P energy: -49.437 tors. eta vs tors. theta energy: -62.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -830.943207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.943207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.943207 (E_RNA) where: Base-Base interactions energy: -490.242 where: short stacking energy: -250.073 Base-Backbone interact. energy: -0.347 local terms energy: -340.353991 where: bonds (distance) C4'-P energy: -89.218 bonds (distance) P-C4' energy: -78.118 flat angles C4'-P-C4' energy: -85.173 flat angles P-C4'-P energy: -42.679 tors. eta vs tors. theta energy: -45.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -569.560984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.560984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.560984 (E_RNA) where: Base-Base interactions energy: -279.286 where: short stacking energy: -143.837 Base-Backbone interact. energy: -0.874 local terms energy: -289.400989 where: bonds (distance) C4'-P energy: -72.059 bonds (distance) P-C4' energy: -90.664 flat angles C4'-P-C4' energy: -76.026 flat angles P-C4'-P energy: -44.319 tors. eta vs tors. theta energy: -6.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -554.319497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.319497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.319497 (E_RNA) where: Base-Base interactions energy: -271.742 where: short stacking energy: -152.058 Base-Backbone interact. energy: -2.157 local terms energy: -280.420590 where: bonds (distance) C4'-P energy: -77.828 bonds (distance) P-C4' energy: -70.405 flat angles C4'-P-C4' energy: -75.718 flat angles P-C4'-P energy: -51.606 tors. eta vs tors. theta energy: -4.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -370.771996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.771996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.771996 (E_RNA) where: Base-Base interactions energy: -119.908 where: short stacking energy: -78.126 Base-Backbone interact. energy: 0.064 local terms energy: -250.927850 where: bonds (distance) C4'-P energy: -76.004 bonds (distance) P-C4' energy: -86.047 flat angles C4'-P-C4' energy: -64.708 flat angles P-C4'-P energy: -54.819 tors. eta vs tors. theta energy: 30.650 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: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1607.238520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.238520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.238520 (E_RNA) where: Base-Base interactions energy: -1112.455 where: short stacking energy: -451.960 Base-Backbone interact. energy: 2.360 local terms energy: -497.143975 where: bonds (distance) C4'-P energy: -99.538 bonds (distance) P-C4' energy: -86.345 flat angles C4'-P-C4' energy: -99.732 flat angles P-C4'-P energy: -80.615 tors. eta vs tors. theta energy: -130.914 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: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1548.322727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.322727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.322727 (E_RNA) where: Base-Base interactions energy: -1076.163 where: short stacking energy: -431.144 Base-Backbone interact. energy: -2.811 local terms energy: -469.349116 where: bonds (distance) C4'-P energy: -76.615 bonds (distance) P-C4' energy: -96.353 flat angles C4'-P-C4' energy: -96.905 flat angles P-C4'-P energy: -76.777 tors. eta vs tors. theta energy: -122.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1511.447954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.447954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.447954 (E_RNA) where: Base-Base interactions energy: -1033.361 where: short stacking energy: -461.360 Base-Backbone interact. energy: -1.622 local terms energy: -476.464736 where: bonds (distance) C4'-P energy: -86.280 bonds (distance) P-C4' energy: -79.300 flat angles C4'-P-C4' energy: -106.355 flat angles P-C4'-P energy: -61.338 tors. eta vs tors. theta energy: -143.192 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: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1397.047419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.047419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.047419 (E_RNA) where: Base-Base interactions energy: -944.893 where: short stacking energy: -401.830 Base-Backbone interact. energy: -3.058 local terms energy: -449.096229 where: bonds (distance) C4'-P energy: -92.906 bonds (distance) P-C4' energy: -88.396 flat angles C4'-P-C4' energy: -92.255 flat angles P-C4'-P energy: -53.526 tors. eta vs tors. theta energy: -122.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1329.518385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.518385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.518385 (E_RNA) where: Base-Base interactions energy: -901.493 where: short stacking energy: -392.445 Base-Backbone interact. energy: -3.830 local terms energy: -424.195316 where: bonds (distance) C4'-P energy: -86.516 bonds (distance) P-C4' energy: -78.671 flat angles C4'-P-C4' energy: -91.652 flat angles P-C4'-P energy: -52.657 tors. eta vs tors. theta energy: -114.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1026.811597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.811597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.811597 (E_RNA) where: Base-Base interactions energy: -648.144 where: short stacking energy: -300.815 Base-Backbone interact. energy: 0.154 local terms energy: -378.821066 where: bonds (distance) C4'-P energy: -75.741 bonds (distance) P-C4' energy: -87.283 flat angles C4'-P-C4' energy: -88.445 flat angles P-C4'-P energy: -53.105 tors. eta vs tors. theta energy: -74.247 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: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -842.047146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.047146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.047146 (E_RNA) where: Base-Base interactions energy: -515.176 where: short stacking energy: -257.361 Base-Backbone interact. energy: 2.224 local terms energy: -329.095221 where: bonds (distance) C4'-P energy: -77.295 bonds (distance) P-C4' energy: -85.217 flat angles C4'-P-C4' energy: -65.739 flat angles P-C4'-P energy: -48.511 tors. eta vs tors. theta energy: -52.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -623.384700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.384700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.384700 (E_RNA) where: Base-Base interactions energy: -321.553 where: short stacking energy: -163.868 Base-Backbone interact. energy: -1.885 local terms energy: -299.947143 where: bonds (distance) C4'-P energy: -87.028 bonds (distance) P-C4' energy: -72.295 flat angles C4'-P-C4' energy: -78.479 flat angles P-C4'-P energy: -50.823 tors. eta vs tors. theta energy: -11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -559.305270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.305270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.305270 (E_RNA) where: Base-Base interactions energy: -308.483 where: short stacking energy: -165.708 Base-Backbone interact. energy: 1.509 local terms energy: -252.332210 where: bonds (distance) C4'-P energy: -62.771 bonds (distance) P-C4' energy: -72.880 flat angles C4'-P-C4' energy: -68.903 flat angles P-C4'-P energy: -32.429 tors. eta vs tors. theta energy: -15.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -373.897782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.897782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.897782 (E_RNA) where: Base-Base interactions energy: -128.449 where: short stacking energy: -97.914 Base-Backbone interact. energy: 1.471 local terms energy: -246.919593 where: bonds (distance) C4'-P energy: -71.946 bonds (distance) P-C4' energy: -70.032 flat angles C4'-P-C4' energy: -72.973 flat angles P-C4'-P energy: -38.032 tors. eta vs tors. theta energy: 6.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1609.252362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.252362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.252362 (E_RNA) where: Base-Base interactions energy: -1106.798 where: short stacking energy: -471.158 Base-Backbone interact. energy: -2.330 local terms energy: -500.124257 where: bonds (distance) C4'-P energy: -89.558 bonds (distance) P-C4' energy: -92.798 flat angles C4'-P-C4' energy: -111.017 flat angles P-C4'-P energy: -72.413 tors. eta vs tors. theta energy: -134.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1513.203271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.203271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.203271 (E_RNA) where: Base-Base interactions energy: -1050.959 where: short stacking energy: -406.115 Base-Backbone interact. energy: -2.177 local terms energy: -460.066759 where: bonds (distance) C4'-P energy: -86.786 bonds (distance) P-C4' energy: -83.411 flat angles C4'-P-C4' energy: -102.759 flat angles P-C4'-P energy: -65.891 tors. eta vs tors. theta energy: -121.220 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: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1482.700645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.700645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.700645 (E_RNA) where: Base-Base interactions energy: -1016.306 where: short stacking energy: -432.208 Base-Backbone interact. energy: -2.770 local terms energy: -463.624288 where: bonds (distance) C4'-P energy: -76.329 bonds (distance) P-C4' energy: -90.033 flat angles C4'-P-C4' energy: -97.038 flat angles P-C4'-P energy: -64.930 tors. eta vs tors. theta energy: -135.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1446.003954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.003954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.003954 (E_RNA) where: Base-Base interactions energy: -1003.625 where: short stacking energy: -399.136 Base-Backbone interact. energy: -1.033 local terms energy: -441.346393 where: bonds (distance) C4'-P energy: -88.065 bonds (distance) P-C4' energy: -92.886 flat angles C4'-P-C4' energy: -100.192 flat angles P-C4'-P energy: -40.847 tors. eta vs tors. theta energy: -119.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1366.868281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.868281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.868281 (E_RNA) where: Base-Base interactions energy: -927.093 where: short stacking energy: -388.318 Base-Backbone interact. energy: -1.829 local terms energy: -437.945751 where: bonds (distance) C4'-P energy: -79.801 bonds (distance) P-C4' energy: -72.985 flat angles C4'-P-C4' energy: -97.740 flat angles P-C4'-P energy: -72.175 tors. eta vs tors. theta energy: -115.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1065.523894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.523894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.523894 (E_RNA) where: Base-Base interactions energy: -710.865 where: short stacking energy: -327.273 Base-Backbone interact. energy: 0.356 local terms energy: -355.015428 where: bonds (distance) C4'-P energy: -74.415 bonds (distance) P-C4' energy: -72.996 flat angles C4'-P-C4' energy: -83.155 flat angles P-C4'-P energy: -54.576 tors. eta vs tors. theta energy: -69.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -840.171533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.171533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.171533 (E_RNA) where: Base-Base interactions energy: -493.972 where: short stacking energy: -264.168 Base-Backbone interact. energy: -0.705 local terms energy: -345.494424 where: bonds (distance) C4'-P energy: -81.676 bonds (distance) P-C4' energy: -79.500 flat angles C4'-P-C4' energy: -73.614 flat angles P-C4'-P energy: -47.601 tors. eta vs tors. theta energy: -63.104 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: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -591.962412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.962412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.962412 (E_RNA) where: Base-Base interactions energy: -286.714 where: short stacking energy: -147.837 Base-Backbone interact. energy: -0.219 local terms energy: -305.029242 where: bonds (distance) C4'-P energy: -77.819 bonds (distance) P-C4' energy: -96.502 flat angles C4'-P-C4' energy: -74.452 flat angles P-C4'-P energy: -55.090 tors. eta vs tors. theta energy: -1.166 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: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -557.356788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.356788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.356788 (E_RNA) where: Base-Base interactions energy: -307.179 where: short stacking energy: -162.908 Base-Backbone interact. energy: -1.434 local terms energy: -248.744011 where: bonds (distance) C4'-P energy: -71.091 bonds (distance) P-C4' energy: -62.444 flat angles C4'-P-C4' energy: -71.928 flat angles P-C4'-P energy: -41.289 tors. eta vs tors. theta energy: -1.991 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: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -360.776399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.776399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.776399 (E_RNA) where: Base-Base interactions energy: -122.452 where: short stacking energy: -103.737 Base-Backbone interact. energy: 5.034 local terms energy: -243.357837 where: bonds (distance) C4'-P energy: -72.666 bonds (distance) P-C4' energy: -81.320 flat angles C4'-P-C4' energy: -69.010 flat angles P-C4'-P energy: -36.795 tors. eta vs tors. theta energy: 16.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1563.927167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.927167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.927167 (E_RNA) where: Base-Base interactions energy: -1073.669 where: short stacking energy: -445.942 Base-Backbone interact. energy: -0.199 local terms energy: -490.059461 where: bonds (distance) C4'-P energy: -86.434 bonds (distance) P-C4' energy: -96.763 flat angles C4'-P-C4' energy: -109.440 flat angles P-C4'-P energy: -61.935 tors. eta vs tors. theta energy: -135.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1563.981643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.981643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.981643 (E_RNA) where: Base-Base interactions energy: -1065.180 where: short stacking energy: -431.537 Base-Backbone interact. energy: -3.676 local terms energy: -495.125612 where: bonds (distance) C4'-P energy: -96.518 bonds (distance) P-C4' energy: -105.220 flat angles C4'-P-C4' energy: -92.855 flat angles P-C4'-P energy: -70.899 tors. eta vs tors. theta energy: -129.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1502.047340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.047340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.047340 (E_RNA) where: Base-Base interactions energy: -1015.965 where: short stacking energy: -434.872 Base-Backbone interact. energy: -0.418 local terms energy: -485.664506 where: bonds (distance) C4'-P energy: -86.710 bonds (distance) P-C4' energy: -93.388 flat angles C4'-P-C4' energy: -97.728 flat angles P-C4'-P energy: -75.472 tors. eta vs tors. theta energy: -132.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1433.187582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.187582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.187582 (E_RNA) where: Base-Base interactions energy: -996.570 where: short stacking energy: -411.822 Base-Backbone interact. energy: -1.182 local terms energy: -435.436478 where: bonds (distance) C4'-P energy: -89.359 bonds (distance) P-C4' energy: -77.117 flat angles C4'-P-C4' energy: -97.604 flat angles P-C4'-P energy: -51.167 tors. eta vs tors. theta energy: -120.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1282.911493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.911493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.911493 (E_RNA) where: Base-Base interactions energy: -850.798 where: short stacking energy: -370.072 Base-Backbone interact. energy: -1.924 local terms energy: -430.189756 where: bonds (distance) C4'-P energy: -88.824 bonds (distance) P-C4' energy: -95.174 flat angles C4'-P-C4' energy: -88.481 flat angles P-C4'-P energy: -54.685 tors. eta vs tors. theta energy: -103.026 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: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1053.075649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.075649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.075649 (E_RNA) where: Base-Base interactions energy: -673.923 where: short stacking energy: -302.345 Base-Backbone interact. energy: -1.340 local terms energy: -377.812285 where: bonds (distance) C4'-P energy: -75.697 bonds (distance) P-C4' energy: -87.565 flat angles C4'-P-C4' energy: -88.769 flat angles P-C4'-P energy: -53.424 tors. eta vs tors. theta energy: -72.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -819.936619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.936619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.936619 (E_RNA) where: Base-Base interactions energy: -477.105 where: short stacking energy: -241.130 Base-Backbone interact. energy: -3.024 local terms energy: -339.807710 where: bonds (distance) C4'-P energy: -75.368 bonds (distance) P-C4' energy: -84.272 flat angles C4'-P-C4' energy: -81.022 flat angles P-C4'-P energy: -63.654 tors. eta vs tors. theta energy: -35.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -616.416941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.416941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.416941 (E_RNA) where: Base-Base interactions energy: -326.320 where: short stacking energy: -196.965 Base-Backbone interact. energy: -0.212 local terms energy: -289.884763 where: bonds (distance) C4'-P energy: -68.682 bonds (distance) P-C4' energy: -88.555 flat angles C4'-P-C4' energy: -77.298 flat angles P-C4'-P energy: -36.123 tors. eta vs tors. theta energy: -19.226 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: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -569.959413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.959413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.959413 (E_RNA) where: Base-Base interactions energy: -288.176 where: short stacking energy: -158.899 Base-Backbone interact. energy: 0.035 local terms energy: -281.818770 where: bonds (distance) C4'-P energy: -54.602 bonds (distance) P-C4' energy: -90.302 flat angles C4'-P-C4' energy: -78.697 flat angles P-C4'-P energy: -54.341 tors. eta vs tors. theta energy: -3.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -377.589859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.589859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.589859 (E_RNA) where: Base-Base interactions energy: -142.510 where: short stacking energy: -89.785 Base-Backbone interact. energy: -1.684 local terms energy: -233.396269 where: bonds (distance) C4'-P energy: -71.681 bonds (distance) P-C4' energy: -81.465 flat angles C4'-P-C4' energy: -60.884 flat angles P-C4'-P energy: -37.835 tors. eta vs tors. theta energy: 18.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1572.314463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.314463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.314463 (E_RNA) where: Base-Base interactions energy: -1089.766 where: short stacking energy: -435.000 Base-Backbone interact. energy: -2.845 local terms energy: -479.703277 where: bonds (distance) C4'-P energy: -98.681 bonds (distance) P-C4' energy: -88.126 flat angles C4'-P-C4' energy: -100.764 flat angles P-C4'-P energy: -65.594 tors. eta vs tors. theta energy: -126.538 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: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1565.923722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.923722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.923722 (E_RNA) where: Base-Base interactions energy: -1115.288 where: short stacking energy: -458.564 Base-Backbone interact. energy: -1.636 local terms energy: -448.999216 where: bonds (distance) C4'-P energy: -90.610 bonds (distance) P-C4' energy: -85.084 flat angles C4'-P-C4' energy: -73.749 flat angles P-C4'-P energy: -64.627 tors. eta vs tors. theta energy: -134.929 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: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1472.791050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.791050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.791050 (E_RNA) where: Base-Base interactions energy: -997.166 where: short stacking energy: -428.691 Base-Backbone interact. energy: -1.021 local terms energy: -474.604786 where: bonds (distance) C4'-P energy: -78.087 bonds (distance) P-C4' energy: -81.979 flat angles C4'-P-C4' energy: -100.116 flat angles P-C4'-P energy: -79.759 tors. eta vs tors. theta energy: -134.664 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: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1444.580009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.580009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.580009 (E_RNA) where: Base-Base interactions energy: -1006.556 where: short stacking energy: -410.489 Base-Backbone interact. energy: 0.197 local terms energy: -438.220854 where: bonds (distance) C4'-P energy: -69.810 bonds (distance) P-C4' energy: -95.495 flat angles C4'-P-C4' energy: -88.216 flat angles P-C4'-P energy: -54.195 tors. eta vs tors. theta energy: -130.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1296.386092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.386092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.386092 (E_RNA) where: Base-Base interactions energy: -898.855 where: short stacking energy: -370.732 Base-Backbone interact. energy: -2.639 local terms energy: -394.891604 where: bonds (distance) C4'-P energy: -85.564 bonds (distance) P-C4' energy: -67.858 flat angles C4'-P-C4' energy: -93.177 flat angles P-C4'-P energy: -52.752 tors. eta vs tors. theta energy: -95.540 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: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1065.371112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.371112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.371112 (E_RNA) where: Base-Base interactions energy: -695.157 where: short stacking energy: -309.614 Base-Backbone interact. energy: -0.814 local terms energy: -369.400498 where: bonds (distance) C4'-P energy: -77.739 bonds (distance) P-C4' energy: -79.409 flat angles C4'-P-C4' energy: -85.425 flat angles P-C4'-P energy: -53.255 tors. eta vs tors. theta energy: -73.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -837.707805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.707805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.707805 (E_RNA) where: Base-Base interactions energy: -510.047 where: short stacking energy: -247.422 Base-Backbone interact. energy: 1.490 local terms energy: -329.150558 where: bonds (distance) C4'-P energy: -73.187 bonds (distance) P-C4' energy: -90.500 flat angles C4'-P-C4' energy: -74.598 flat angles P-C4'-P energy: -45.848 tors. eta vs tors. theta energy: -45.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -643.298914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.298914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.298914 (E_RNA) where: Base-Base interactions energy: -326.259 where: short stacking energy: -183.131 Base-Backbone interact. energy: 5.218 local terms energy: -322.257762 where: bonds (distance) C4'-P energy: -76.366 bonds (distance) P-C4' energy: -89.906 flat angles C4'-P-C4' energy: -83.182 flat angles P-C4'-P energy: -49.787 tors. eta vs tors. theta energy: -23.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -704.778749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.778749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.778749 (E_RNA) where: Base-Base interactions energy: -395.803 where: short stacking energy: -214.244 Base-Backbone interact. energy: 1.455 local terms energy: -310.430515 where: bonds (distance) C4'-P energy: -78.407 bonds (distance) P-C4' energy: -78.407 flat angles C4'-P-C4' energy: -72.537 flat angles P-C4'-P energy: -34.423 tors. eta vs tors. theta energy: -46.656 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: 10, replica: 9 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -432.195723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.195723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.195723 (E_RNA) where: Base-Base interactions energy: -173.015 where: short stacking energy: -85.764 Base-Backbone interact. energy: 2.239 local terms energy: -261.419344 where: bonds (distance) C4'-P energy: -83.554 bonds (distance) P-C4' energy: -85.998 flat angles C4'-P-C4' energy: -77.052 flat angles P-C4'-P energy: -28.952 tors. eta vs tors. theta energy: 14.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1565.401950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.401950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.401950 (E_RNA) where: Base-Base interactions energy: -1097.210 where: short stacking energy: -439.281 Base-Backbone interact. energy: -2.234 local terms energy: -465.957997 where: bonds (distance) C4'-P energy: -88.740 bonds (distance) P-C4' energy: -78.436 flat angles C4'-P-C4' energy: -101.031 flat angles P-C4'-P energy: -64.816 tors. eta vs tors. theta energy: -132.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1592.114074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.114074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.114074 (E_RNA) where: Base-Base interactions energy: -1074.071 where: short stacking energy: -462.780 Base-Backbone interact. energy: -3.438 local terms energy: -514.604864 where: bonds (distance) C4'-P energy: -92.542 bonds (distance) P-C4' energy: -96.113 flat angles C4'-P-C4' energy: -106.643 flat angles P-C4'-P energy: -75.853 tors. eta vs tors. theta energy: -143.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1499.143714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.143714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.143714 (E_RNA) where: Base-Base interactions energy: -1027.154 where: short stacking energy: -444.795 Base-Backbone interact. energy: -2.748 local terms energy: -469.242285 where: bonds (distance) C4'-P energy: -80.685 bonds (distance) P-C4' energy: -90.029 flat angles C4'-P-C4' energy: -99.650 flat angles P-C4'-P energy: -59.116 tors. eta vs tors. theta energy: -139.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1410.532051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.532051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.532051 (E_RNA) where: Base-Base interactions energy: -950.916 where: short stacking energy: -424.305 Base-Backbone interact. energy: -0.212 local terms energy: -459.404885 where: bonds (distance) C4'-P energy: -92.225 bonds (distance) P-C4' energy: -84.886 flat angles C4'-P-C4' energy: -81.638 flat angles P-C4'-P energy: -69.475 tors. eta vs tors. theta energy: -131.181 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: 3 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1297.782767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.782767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.782767 (E_RNA) where: Base-Base interactions energy: -898.969 where: short stacking energy: -358.634 Base-Backbone interact. energy: -2.634 local terms energy: -396.180084 where: bonds (distance) C4'-P energy: -73.185 bonds (distance) P-C4' energy: -86.798 flat angles C4'-P-C4' energy: -83.522 flat angles P-C4'-P energy: -54.182 tors. eta vs tors. theta energy: -98.493 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: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1072.277551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.277551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.277551 (E_RNA) where: Base-Base interactions energy: -691.664 where: short stacking energy: -305.958 Base-Backbone interact. energy: 5.167 local terms energy: -385.781131 where: bonds (distance) C4'-P energy: -75.391 bonds (distance) P-C4' energy: -85.668 flat angles C4'-P-C4' energy: -92.528 flat angles P-C4'-P energy: -51.728 tors. eta vs tors. theta energy: -80.466 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: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -814.968490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.968490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.968490 (E_RNA) where: Base-Base interactions energy: -478.649 where: short stacking energy: -250.745 Base-Backbone interact. energy: -0.641 local terms energy: -335.678940 where: bonds (distance) C4'-P energy: -78.411 bonds (distance) P-C4' energy: -79.070 flat angles C4'-P-C4' energy: -74.683 flat angles P-C4'-P energy: -49.030 tors. eta vs tors. theta energy: -54.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -645.266285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.266285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.266285 (E_RNA) where: Base-Base interactions energy: -358.088 where: short stacking energy: -211.994 Base-Backbone interact. energy: -0.088 local terms energy: -287.090155 where: bonds (distance) C4'-P energy: -77.692 bonds (distance) P-C4' energy: -75.205 flat angles C4'-P-C4' energy: -69.489 flat angles P-C4'-P energy: -56.934 tors. eta vs tors. theta energy: -7.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -677.848334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.848334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.848334 (E_RNA) where: Base-Base interactions energy: -373.775 where: short stacking energy: -187.801 Base-Backbone interact. energy: 3.337 local terms energy: -307.410048 where: bonds (distance) C4'-P energy: -74.439 bonds (distance) P-C4' energy: -83.589 flat angles C4'-P-C4' energy: -80.076 flat angles P-C4'-P energy: -26.502 tors. eta vs tors. theta energy: -42.805 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: 10, replica: 9 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -426.412559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.412559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.412559 (E_RNA) where: Base-Base interactions energy: -198.038 where: short stacking energy: -117.625 Base-Backbone interact. energy: -1.036 local terms energy: -227.338534 where: bonds (distance) C4'-P energy: -63.195 bonds (distance) P-C4' energy: -77.285 flat angles C4'-P-C4' energy: -75.553 flat angles P-C4'-P energy: -29.792 tors. eta vs tors. theta energy: 18.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1545.939764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.939764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.939764 (E_RNA) where: Base-Base interactions energy: -1073.718 where: short stacking energy: -453.126 Base-Backbone interact. energy: 2.063 local terms energy: -474.285453 where: bonds (distance) C4'-P energy: -79.685 bonds (distance) P-C4' energy: -101.516 flat angles C4'-P-C4' energy: -96.068 flat angles P-C4'-P energy: -72.619 tors. eta vs tors. theta energy: -124.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1554.155379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.155379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.155379 (E_RNA) where: Base-Base interactions energy: -1066.635 where: short stacking energy: -436.142 Base-Backbone interact. energy: -2.919 local terms energy: -484.601973 where: bonds (distance) C4'-P energy: -88.696 bonds (distance) P-C4' energy: -94.380 flat angles C4'-P-C4' energy: -93.524 flat angles P-C4'-P energy: -75.842 tors. eta vs tors. theta energy: -132.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1515.689490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.689490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.689490 (E_RNA) where: Base-Base interactions energy: -1034.353 where: short stacking energy: -419.818 Base-Backbone interact. energy: -2.522 local terms energy: -478.814592 where: bonds (distance) C4'-P energy: -88.085 bonds (distance) P-C4' energy: -94.275 flat angles C4'-P-C4' energy: -95.397 flat angles P-C4'-P energy: -70.411 tors. eta vs tors. theta energy: -130.647 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: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1404.769185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.769185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.769185 (E_RNA) where: Base-Base interactions energy: -939.399 where: short stacking energy: -398.682 Base-Backbone interact. energy: -1.729 local terms energy: -463.640859 where: bonds (distance) C4'-P energy: -67.007 bonds (distance) P-C4' energy: -90.336 flat angles C4'-P-C4' energy: -105.913 flat angles P-C4'-P energy: -70.890 tors. eta vs tors. theta energy: -129.494 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: 3 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1280.835101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.835101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.835101 (E_RNA) where: Base-Base interactions energy: -856.294 where: short stacking energy: -341.247 Base-Backbone interact. energy: -2.090 local terms energy: -422.451427 where: bonds (distance) C4'-P energy: -77.847 bonds (distance) P-C4' energy: -95.299 flat angles C4'-P-C4' energy: -81.791 flat angles P-C4'-P energy: -59.408 tors. eta vs tors. theta energy: -108.106 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: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1098.354926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.354926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.354926 (E_RNA) where: Base-Base interactions energy: -702.584 where: short stacking energy: -330.057 Base-Backbone interact. energy: 0.814 local terms energy: -396.585111 where: bonds (distance) C4'-P energy: -79.491 bonds (distance) P-C4' energy: -82.405 flat angles C4'-P-C4' energy: -89.260 flat angles P-C4'-P energy: -59.115 tors. eta vs tors. theta energy: -86.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -813.020614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.020614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.020614 (E_RNA) where: Base-Base interactions energy: -468.376 where: short stacking energy: -232.276 Base-Backbone interact. energy: -0.607 local terms energy: -344.037784 where: bonds (distance) C4'-P energy: -83.105 bonds (distance) P-C4' energy: -75.205 flat angles C4'-P-C4' energy: -92.706 flat angles P-C4'-P energy: -45.817 tors. eta vs tors. theta energy: -47.206 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: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -653.199466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.199466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.199466 (E_RNA) where: Base-Base interactions energy: -371.124 where: short stacking energy: -157.178 Base-Backbone interact. energy: -2.203 local terms energy: -279.872221 where: bonds (distance) C4'-P energy: -63.880 bonds (distance) P-C4' energy: -88.994 flat angles C4'-P-C4' energy: -63.644 flat angles P-C4'-P energy: -48.354 tors. eta vs tors. theta energy: -15.001 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: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -635.184548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.184548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.184548 (E_RNA) where: Base-Base interactions energy: -344.168 where: short stacking energy: -176.915 Base-Backbone interact. energy: 2.275 local terms energy: -293.291000 where: bonds (distance) C4'-P energy: -79.218 bonds (distance) P-C4' energy: -79.383 flat angles C4'-P-C4' energy: -73.269 flat angles P-C4'-P energy: -30.359 tors. eta vs tors. theta energy: -31.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -421.729823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.729823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.729823 (E_RNA) where: Base-Base interactions energy: -181.906 where: short stacking energy: -100.168 Base-Backbone interact. energy: -0.373 local terms energy: -239.450960 where: bonds (distance) C4'-P energy: -73.485 bonds (distance) P-C4' energy: -80.222 flat angles C4'-P-C4' energy: -62.491 flat angles P-C4'-P energy: -39.727 tors. eta vs tors. theta energy: 16.475 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: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1588.993232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.993232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.993232 (E_RNA) where: Base-Base interactions energy: -1107.934 where: short stacking energy: -466.650 Base-Backbone interact. energy: -2.350 local terms energy: -478.708454 where: bonds (distance) C4'-P energy: -90.049 bonds (distance) P-C4' energy: -87.746 flat angles C4'-P-C4' energy: -92.268 flat angles P-C4'-P energy: -73.590 tors. eta vs tors. theta energy: -135.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1530.473898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.473898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.473898 (E_RNA) where: Base-Base interactions energy: -1036.644 where: short stacking energy: -413.763 Base-Backbone interact. energy: -1.287 local terms energy: -492.542932 where: bonds (distance) C4'-P energy: -95.253 bonds (distance) P-C4' energy: -99.992 flat angles C4'-P-C4' energy: -104.369 flat angles P-C4'-P energy: -70.582 tors. eta vs tors. theta energy: -122.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1497.103509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.103509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.103509 (E_RNA) where: Base-Base interactions energy: -1021.917 where: short stacking energy: -428.665 Base-Backbone interact. energy: -4.078 local terms energy: -471.108306 where: bonds (distance) C4'-P energy: -96.094 bonds (distance) P-C4' energy: -80.584 flat angles C4'-P-C4' energy: -100.930 flat angles P-C4'-P energy: -58.673 tors. eta vs tors. theta energy: -134.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1413.203904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.203904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.203904 (E_RNA) where: Base-Base interactions energy: -958.480 where: short stacking energy: -409.643 Base-Backbone interact. energy: 1.015 local terms energy: -455.739209 where: bonds (distance) C4'-P energy: -79.799 bonds (distance) P-C4' energy: -87.168 flat angles C4'-P-C4' energy: -95.673 flat angles P-C4'-P energy: -70.832 tors. eta vs tors. theta energy: -122.267 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: 3 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1315.960598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.960598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.960598 (E_RNA) where: Base-Base interactions energy: -893.833 where: short stacking energy: -357.883 Base-Backbone interact. energy: -2.616 local terms energy: -419.511574 where: bonds (distance) C4'-P energy: -85.800 bonds (distance) P-C4' energy: -78.772 flat angles C4'-P-C4' energy: -91.669 flat angles P-C4'-P energy: -53.642 tors. eta vs tors. theta energy: -109.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1125.276127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.276127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.276127 (E_RNA) where: Base-Base interactions energy: -734.951 where: short stacking energy: -343.173 Base-Backbone interact. energy: -0.502 local terms energy: -389.822520 where: bonds (distance) C4'-P energy: -77.035 bonds (distance) P-C4' energy: -79.748 flat angles C4'-P-C4' energy: -88.498 flat angles P-C4'-P energy: -59.699 tors. eta vs tors. theta energy: -84.842 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: 7, replica: 1 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -816.127469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.127469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.127469 (E_RNA) where: Base-Base interactions energy: -497.429 where: short stacking energy: -227.319 Base-Backbone interact. energy: 1.241 local terms energy: -319.939375 where: bonds (distance) C4'-P energy: -75.780 bonds (distance) P-C4' energy: -91.652 flat angles C4'-P-C4' energy: -70.585 flat angles P-C4'-P energy: -46.941 tors. eta vs tors. theta energy: -34.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -681.589615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.589615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.589615 (E_RNA) where: Base-Base interactions energy: -383.072 where: short stacking energy: -185.379 Base-Backbone interact. energy: -1.798 local terms energy: -296.719354 where: bonds (distance) C4'-P energy: -78.326 bonds (distance) P-C4' energy: -83.496 flat angles C4'-P-C4' energy: -65.660 flat angles P-C4'-P energy: -43.674 tors. eta vs tors. theta energy: -25.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -616.490065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.490065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.490065 (E_RNA) where: Base-Base interactions energy: -331.791 where: short stacking energy: -167.343 Base-Backbone interact. energy: -0.908 local terms energy: -283.790951 where: bonds (distance) C4'-P energy: -73.948 bonds (distance) P-C4' energy: -75.435 flat angles C4'-P-C4' energy: -84.423 flat angles P-C4'-P energy: -29.099 tors. eta vs tors. theta energy: -20.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -463.601219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.601219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.601219 (E_RNA) where: Base-Base interactions energy: -202.203 where: short stacking energy: -114.705 Base-Backbone interact. energy: 4.867 local terms energy: -266.264583 where: bonds (distance) C4'-P energy: -75.757 bonds (distance) P-C4' energy: -82.931 flat angles C4'-P-C4' energy: -65.530 flat angles P-C4'-P energy: -37.894 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1608.872757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.872757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.872757 (E_RNA) where: Base-Base interactions energy: -1102.446 where: short stacking energy: -451.066 Base-Backbone interact. energy: -2.040 local terms energy: -504.387049 where: bonds (distance) C4'-P energy: -98.025 bonds (distance) P-C4' energy: -96.340 flat angles C4'-P-C4' energy: -98.061 flat angles P-C4'-P energy: -71.796 tors. eta vs tors. theta energy: -140.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1539.913596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.913596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.913596 (E_RNA) where: Base-Base interactions energy: -1088.226 where: short stacking energy: -446.908 Base-Backbone interact. energy: 0.048 local terms energy: -451.735496 where: bonds (distance) C4'-P energy: -86.349 bonds (distance) P-C4' energy: -70.633 flat angles C4'-P-C4' energy: -99.261 flat angles P-C4'-P energy: -68.457 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: 3, replica: 4 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1514.585669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.585669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.585669 (E_RNA) where: Base-Base interactions energy: -1044.972 where: short stacking energy: -431.355 Base-Backbone interact. energy: -0.457 local terms energy: -469.156862 where: bonds (distance) C4'-P energy: -85.188 bonds (distance) P-C4' energy: -91.836 flat angles C4'-P-C4' energy: -97.156 flat angles P-C4'-P energy: -70.589 tors. eta vs tors. theta energy: -124.389 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: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1396.516663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.516663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.516663 (E_RNA) where: Base-Base interactions energy: -968.180 where: short stacking energy: -390.264 Base-Backbone interact. energy: -1.040 local terms energy: -427.296796 where: bonds (distance) C4'-P energy: -78.456 bonds (distance) P-C4' energy: -84.785 flat angles C4'-P-C4' energy: -99.449 flat angles P-C4'-P energy: -53.346 tors. eta vs tors. theta energy: -111.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1321.771310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.771310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.771310 (E_RNA) where: Base-Base interactions energy: -892.461 where: short stacking energy: -373.266 Base-Backbone interact. energy: -1.165 local terms energy: -428.145049 where: bonds (distance) C4'-P energy: -92.499 bonds (distance) P-C4' energy: -78.238 flat angles C4'-P-C4' energy: -91.122 flat angles P-C4'-P energy: -50.373 tors. eta vs tors. theta energy: -115.913 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: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1072.161677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.161677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.161677 (E_RNA) where: Base-Base interactions energy: -708.717 where: short stacking energy: -328.200 Base-Backbone interact. energy: -1.405 local terms energy: -362.039967 where: bonds (distance) C4'-P energy: -74.505 bonds (distance) P-C4' energy: -76.960 flat angles C4'-P-C4' energy: -85.616 flat angles P-C4'-P energy: -37.410 tors. eta vs tors. theta energy: -87.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -844.608928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.608928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.608928 (E_RNA) where: Base-Base interactions energy: -500.827 where: short stacking energy: -231.596 Base-Backbone interact. energy: -2.366 local terms energy: -341.415609 where: bonds (distance) C4'-P energy: -84.118 bonds (distance) P-C4' energy: -87.505 flat angles C4'-P-C4' energy: -78.985 flat angles P-C4'-P energy: -45.716 tors. eta vs tors. theta energy: -45.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -716.908300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.908300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.908300 (E_RNA) where: Base-Base interactions energy: -399.914 where: short stacking energy: -181.293 Base-Backbone interact. energy: 3.454 local terms energy: -320.448186 where: bonds (distance) C4'-P energy: -73.547 bonds (distance) P-C4' energy: -90.165 flat angles C4'-P-C4' energy: -85.896 flat angles P-C4'-P energy: -46.342 tors. eta vs tors. theta energy: -24.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -566.745022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.745022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.745022 (E_RNA) where: Base-Base interactions energy: -307.038 where: short stacking energy: -149.082 Base-Backbone interact. energy: -1.583 local terms energy: -258.124364 where: bonds (distance) C4'-P energy: -67.014 bonds (distance) P-C4' energy: -81.856 flat angles C4'-P-C4' energy: -69.071 flat angles P-C4'-P energy: -36.155 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -432.240404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.240404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.240404 (E_RNA) where: Base-Base interactions energy: -210.935 where: short stacking energy: -118.194 Base-Backbone interact. energy: 1.772 local terms energy: -223.077360 where: bonds (distance) C4'-P energy: -70.630 bonds (distance) P-C4' energy: -74.389 flat angles C4'-P-C4' energy: -69.141 flat angles P-C4'-P energy: -21.355 tors. eta vs tors. theta energy: 12.438 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: 1, replica: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1632.837561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.837561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.837561 (E_RNA) where: Base-Base interactions energy: -1124.306 where: short stacking energy: -480.988 Base-Backbone interact. energy: -2.926 local terms energy: -505.605695 where: bonds (distance) C4'-P energy: -90.142 bonds (distance) P-C4' energy: -94.605 flat angles C4'-P-C4' energy: -108.534 flat angles P-C4'-P energy: -68.635 tors. eta vs tors. theta energy: -143.689 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: 280 Temperature: 0.950000 Total energy: -1540.252621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.252621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.252621 (E_RNA) where: Base-Base interactions energy: -1050.341 where: short stacking energy: -447.291 Base-Backbone interact. energy: 1.591 local terms energy: -491.502560 where: bonds (distance) C4'-P energy: -89.286 bonds (distance) P-C4' energy: -96.294 flat angles C4'-P-C4' energy: -100.818 flat angles P-C4'-P energy: -70.853 tors. eta vs tors. theta energy: -134.251 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: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1485.172600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.172600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.172600 (E_RNA) where: Base-Base interactions energy: -1013.179 where: short stacking energy: -411.415 Base-Backbone interact. energy: -0.630 local terms energy: -471.363729 where: bonds (distance) C4'-P energy: -93.223 bonds (distance) P-C4' energy: -85.595 flat angles C4'-P-C4' energy: -98.574 flat angles P-C4'-P energy: -69.659 tors. eta vs tors. theta energy: -124.313 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: 280 Temperature: 1.050000 Total energy: -1349.412503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.412503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.412503 (E_RNA) where: Base-Base interactions energy: -918.198 where: short stacking energy: -380.125 Base-Backbone interact. energy: -1.580 local terms energy: -429.634398 where: bonds (distance) C4'-P energy: -82.659 bonds (distance) P-C4' energy: -86.183 flat angles C4'-P-C4' energy: -79.404 flat angles P-C4'-P energy: -69.207 tors. eta vs tors. theta energy: -112.180 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: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1371.256540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.256540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.256540 (E_RNA) where: Base-Base interactions energy: -931.432 where: short stacking energy: -396.113 Base-Backbone interact. energy: -1.220 local terms energy: -438.603967 where: bonds (distance) C4'-P energy: -93.669 bonds (distance) P-C4' energy: -75.062 flat angles C4'-P-C4' energy: -98.030 flat angles P-C4'-P energy: -54.514 tors. eta vs tors. theta energy: -117.328 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: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1178.516580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.516580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.516580 (E_RNA) where: Base-Base interactions energy: -753.651 where: short stacking energy: -349.817 Base-Backbone interact. energy: 2.946 local terms energy: -427.811063 where: bonds (distance) C4'-P energy: -89.365 bonds (distance) P-C4' energy: -88.686 flat angles C4'-P-C4' energy: -90.346 flat angles P-C4'-P energy: -54.149 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: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -882.164755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.164755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.164755 (E_RNA) where: Base-Base interactions energy: -564.287 where: short stacking energy: -277.930 Base-Backbone interact. energy: -2.368 local terms energy: -315.509011 where: bonds (distance) C4'-P energy: -65.637 bonds (distance) P-C4' energy: -66.292 flat angles C4'-P-C4' energy: -76.024 flat angles P-C4'-P energy: -41.357 tors. eta vs tors. theta energy: -66.199 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: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -720.717328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.717328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.717328 (E_RNA) where: Base-Base interactions energy: -413.102 where: short stacking energy: -188.513 Base-Backbone interact. energy: -1.575 local terms energy: -306.041080 where: bonds (distance) C4'-P energy: -70.764 bonds (distance) P-C4' energy: -90.930 flat angles C4'-P-C4' energy: -80.609 flat angles P-C4'-P energy: -41.184 tors. eta vs tors. theta energy: -22.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -600.298176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.298176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.298176 (E_RNA) where: Base-Base interactions energy: -329.592 where: short stacking energy: -171.699 Base-Backbone interact. energy: 1.468 local terms energy: -272.173603 where: bonds (distance) C4'-P energy: -78.330 bonds (distance) P-C4' energy: -80.908 flat angles C4'-P-C4' energy: -62.968 flat angles P-C4'-P energy: -46.444 tors. eta vs tors. theta energy: -3.524 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: 280 Temperature: 1.350000 Total energy: -450.945234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.945234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.945234 (E_RNA) where: Base-Base interactions energy: -197.341 where: short stacking energy: -121.909 Base-Backbone interact. energy: -0.446 local terms energy: -253.157956 where: bonds (distance) C4'-P energy: -63.500 bonds (distance) P-C4' energy: -87.549 flat angles C4'-P-C4' energy: -57.610 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: -5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1614.776195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.776195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.776195 (E_RNA) where: Base-Base interactions energy: -1110.399 where: short stacking energy: -455.897 Base-Backbone interact. energy: -3.459 local terms energy: -500.918068 where: bonds (distance) C4'-P energy: -92.432 bonds (distance) P-C4' energy: -95.707 flat angles C4'-P-C4' energy: -108.016 flat angles P-C4'-P energy: -63.303 tors. eta vs tors. theta energy: -141.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1526.455576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.455576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.455576 (E_RNA) where: Base-Base interactions energy: -1042.165 where: short stacking energy: -422.715 Base-Backbone interact. energy: 0.031 local terms energy: -484.321366 where: bonds (distance) C4'-P energy: -84.260 bonds (distance) P-C4' energy: -97.676 flat angles C4'-P-C4' energy: -99.850 flat angles P-C4'-P energy: -69.720 tors. eta vs tors. theta energy: -132.815 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: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1482.286194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.286194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.286194 (E_RNA) where: Base-Base interactions energy: -1017.480 where: short stacking energy: -400.642 Base-Backbone interact. energy: -3.071 local terms energy: -461.735257 where: bonds (distance) C4'-P energy: -85.229 bonds (distance) P-C4' energy: -85.927 flat angles C4'-P-C4' energy: -100.691 flat angles P-C4'-P energy: -59.990 tors. eta vs tors. theta energy: -129.900 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: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1419.840517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.840517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.840517 (E_RNA) where: Base-Base interactions energy: -954.996 where: short stacking energy: -423.877 Base-Backbone interact. energy: -1.942 local terms energy: -462.902548 where: bonds (distance) C4'-P energy: -87.546 bonds (distance) P-C4' energy: -86.741 flat angles C4'-P-C4' energy: -97.766 flat angles P-C4'-P energy: -61.239 tors. eta vs tors. theta energy: -129.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1334.212403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.212403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.212403 (E_RNA) where: Base-Base interactions energy: -913.388 where: short stacking energy: -364.733 Base-Backbone interact. energy: 0.632 local terms energy: -421.456034 where: bonds (distance) C4'-P energy: -77.216 bonds (distance) P-C4' energy: -76.630 flat angles C4'-P-C4' energy: -104.048 flat angles P-C4'-P energy: -52.425 tors. eta vs tors. theta energy: -111.137 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: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1057.924015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.924015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.924015 (E_RNA) where: Base-Base interactions energy: -664.257 where: short stacking energy: -301.119 Base-Backbone interact. energy: 2.142 local terms energy: -395.808960 where: bonds (distance) C4'-P energy: -80.444 bonds (distance) P-C4' energy: -93.636 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -55.410 tors. eta vs tors. theta energy: -75.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -822.687797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.687797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.687797 (E_RNA) where: Base-Base interactions energy: -477.804 where: short stacking energy: -208.798 Base-Backbone interact. energy: -0.734 local terms energy: -344.149832 where: bonds (distance) C4'-P energy: -85.480 bonds (distance) P-C4' energy: -84.190 flat angles C4'-P-C4' energy: -83.017 flat angles P-C4'-P energy: -52.560 tors. eta vs tors. theta energy: -38.903 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: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -794.120062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.120062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.120062 (E_RNA) where: Base-Base interactions energy: -441.356 where: short stacking energy: -217.687 Base-Backbone interact. energy: -1.098 local terms energy: -351.665854 where: bonds (distance) C4'-P energy: -75.625 bonds (distance) P-C4' energy: -81.583 flat angles C4'-P-C4' energy: -91.882 flat angles P-C4'-P energy: -61.492 tors. eta vs tors. theta energy: -41.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -645.423509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.423509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.423509 (E_RNA) where: Base-Base interactions energy: -320.100 where: short stacking energy: -184.610 Base-Backbone interact. energy: 0.687 local terms energy: -326.010719 where: bonds (distance) C4'-P energy: -73.487 bonds (distance) P-C4' energy: -86.197 flat angles C4'-P-C4' energy: -89.882 flat angles P-C4'-P energy: -43.623 tors. eta vs tors. theta energy: -32.822 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: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -456.411977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.411977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.411977 (E_RNA) where: Base-Base interactions energy: -190.277 where: short stacking energy: -107.724 Base-Backbone interact. energy: 0.922 local terms energy: -267.057025 where: bonds (distance) C4'-P energy: -76.826 bonds (distance) P-C4' energy: -82.285 flat angles C4'-P-C4' energy: -72.787 flat angles P-C4'-P energy: -34.440 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1627.589959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.589959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.589959 (E_RNA) where: Base-Base interactions energy: -1141.100 where: short stacking energy: -477.870 Base-Backbone interact. energy: -3.180 local terms energy: -483.309671 where: bonds (distance) C4'-P energy: -85.240 bonds (distance) P-C4' energy: -86.792 flat angles C4'-P-C4' energy: -101.644 flat angles P-C4'-P energy: -70.236 tors. eta vs tors. theta energy: -139.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1528.997864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.997864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.997864 (E_RNA) where: Base-Base interactions energy: -1072.134 where: short stacking energy: -418.539 Base-Backbone interact. energy: -1.133 local terms energy: -455.731144 where: bonds (distance) C4'-P energy: -90.986 bonds (distance) P-C4' energy: -74.716 flat angles C4'-P-C4' energy: -98.153 flat angles P-C4'-P energy: -68.343 tors. eta vs tors. theta energy: -123.534 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: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1454.053720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.053720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.053720 (E_RNA) where: Base-Base interactions energy: -977.519 where: short stacking energy: -443.415 Base-Backbone interact. energy: -0.940 local terms energy: -475.594946 where: bonds (distance) C4'-P energy: -93.411 bonds (distance) P-C4' energy: -83.617 flat angles C4'-P-C4' energy: -97.696 flat angles P-C4'-P energy: -67.911 tors. eta vs tors. theta energy: -132.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1413.459924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.459924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.459924 (E_RNA) where: Base-Base interactions energy: -962.020 where: short stacking energy: -378.907 Base-Backbone interact. energy: -5.018 local terms energy: -446.421818 where: bonds (distance) C4'-P energy: -71.482 bonds (distance) P-C4' energy: -86.210 flat angles C4'-P-C4' energy: -94.737 flat angles P-C4'-P energy: -71.698 tors. eta vs tors. theta energy: -122.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1386.928614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.928614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.928614 (E_RNA) where: Base-Base interactions energy: -937.685 where: short stacking energy: -409.279 Base-Backbone interact. energy: -1.255 local terms energy: -447.988031 where: bonds (distance) C4'-P energy: -90.651 bonds (distance) P-C4' energy: -71.848 flat angles C4'-P-C4' energy: -91.275 flat angles P-C4'-P energy: -68.189 tors. eta vs tors. theta energy: -126.026 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: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1166.675706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.675706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.675706 (E_RNA) where: Base-Base interactions energy: -780.063 where: short stacking energy: -336.888 Base-Backbone interact. energy: 0.823 local terms energy: -387.435581 where: bonds (distance) C4'-P energy: -60.275 bonds (distance) P-C4' energy: -98.456 flat angles C4'-P-C4' energy: -81.503 flat angles P-C4'-P energy: -54.279 tors. eta vs tors. theta energy: -92.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -826.934300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.934300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.934300 (E_RNA) where: Base-Base interactions energy: -506.637 where: short stacking energy: -266.998 Base-Backbone interact. energy: 4.684 local terms energy: -324.981199 where: bonds (distance) C4'-P energy: -68.498 bonds (distance) P-C4' energy: -73.775 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -53.191 tors. eta vs tors. theta energy: -56.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -768.476820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.476820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.476820 (E_RNA) where: Base-Base interactions energy: -480.859 where: short stacking energy: -236.680 Base-Backbone interact. energy: 1.049 local terms energy: -288.666783 where: bonds (distance) C4'-P energy: -73.966 bonds (distance) P-C4' energy: -72.369 flat angles C4'-P-C4' energy: -66.470 flat angles P-C4'-P energy: -28.852 tors. eta vs tors. theta energy: -47.010 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: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -590.652734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.652734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.652734 (E_RNA) where: Base-Base interactions energy: -325.375 where: short stacking energy: -168.174 Base-Backbone interact. energy: 6.027 local terms energy: -271.305437 where: bonds (distance) C4'-P energy: -77.584 bonds (distance) P-C4' energy: -82.655 flat angles C4'-P-C4' energy: -61.657 flat angles P-C4'-P energy: -41.042 tors. eta vs tors. theta energy: -8.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -463.675711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.675711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.675711 (E_RNA) where: Base-Base interactions energy: -223.691 where: short stacking energy: -124.275 Base-Backbone interact. energy: -0.905 local terms energy: -239.079057 where: bonds (distance) C4'-P energy: -65.897 bonds (distance) P-C4' energy: -73.554 flat angles C4'-P-C4' energy: -70.855 flat angles P-C4'-P energy: -26.357 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1609.220286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.220286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.220286 (E_RNA) where: Base-Base interactions energy: -1114.612 where: short stacking energy: -464.121 Base-Backbone interact. energy: -4.514 local terms energy: -490.094322 where: bonds (distance) C4'-P energy: -84.442 bonds (distance) P-C4' energy: -94.903 flat angles C4'-P-C4' energy: -106.494 flat angles P-C4'-P energy: -69.424 tors. eta vs tors. theta energy: -134.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1541.219851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.219851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.219851 (E_RNA) where: Base-Base interactions energy: -1060.639 where: short stacking energy: -423.755 Base-Backbone interact. energy: 0.408 local terms energy: -480.989549 where: bonds (distance) C4'-P energy: -85.207 bonds (distance) P-C4' energy: -87.647 flat angles C4'-P-C4' energy: -103.763 flat angles P-C4'-P energy: -72.861 tors. eta vs tors. theta energy: -131.511 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: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1445.246247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.246247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.246247 (E_RNA) where: Base-Base interactions energy: -965.049 where: short stacking energy: -439.014 Base-Backbone interact. energy: 1.246 local terms energy: -481.443466 where: bonds (distance) C4'-P energy: -88.377 bonds (distance) P-C4' energy: -94.324 flat angles C4'-P-C4' energy: -106.827 flat angles P-C4'-P energy: -58.115 tors. eta vs tors. theta energy: -133.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1372.948829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.948829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.948829 (E_RNA) where: Base-Base interactions energy: -925.928 where: short stacking energy: -391.682 Base-Backbone interact. energy: -2.261 local terms energy: -444.760544 where: bonds (distance) C4'-P energy: -87.080 bonds (distance) P-C4' energy: -89.081 flat angles C4'-P-C4' energy: -80.835 flat angles P-C4'-P energy: -67.146 tors. eta vs tors. theta energy: -120.619 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: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1322.798491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.798491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.798491 (E_RNA) where: Base-Base interactions energy: -894.507 where: short stacking energy: -386.975 Base-Backbone interact. energy: -3.168 local terms energy: -425.123599 where: bonds (distance) C4'-P energy: -80.035 bonds (distance) P-C4' energy: -81.641 flat angles C4'-P-C4' energy: -89.870 flat angles P-C4'-P energy: -65.205 tors. eta vs tors. theta energy: -108.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1166.105095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.105095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.105095 (E_RNA) where: Base-Base interactions energy: -777.559 where: short stacking energy: -329.419 Base-Backbone interact. energy: -0.603 local terms energy: -387.943457 where: bonds (distance) C4'-P energy: -79.446 bonds (distance) P-C4' energy: -75.345 flat angles C4'-P-C4' energy: -79.744 flat angles P-C4'-P energy: -58.397 tors. eta vs tors. theta energy: -95.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -866.706421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.706421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.706421 (E_RNA) where: Base-Base interactions energy: -525.765 where: short stacking energy: -248.019 Base-Backbone interact. energy: -1.339 local terms energy: -339.602395 where: bonds (distance) C4'-P energy: -78.479 bonds (distance) P-C4' energy: -73.691 flat angles C4'-P-C4' energy: -81.413 flat angles P-C4'-P energy: -51.639 tors. eta vs tors. theta energy: -54.380 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: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -750.186165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.186165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.186165 (E_RNA) where: Base-Base interactions energy: -457.088 where: short stacking energy: -211.981 Base-Backbone interact. energy: -1.747 local terms energy: -291.350938 where: bonds (distance) C4'-P energy: -66.620 bonds (distance) P-C4' energy: -69.064 flat angles C4'-P-C4' energy: -79.049 flat angles P-C4'-P energy: -51.432 tors. eta vs tors. theta energy: -25.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -564.627456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.627456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.627456 (E_RNA) where: Base-Base interactions energy: -304.333 where: short stacking energy: -162.990 Base-Backbone interact. energy: 8.216 local terms energy: -268.511287 where: bonds (distance) C4'-P energy: -71.580 bonds (distance) P-C4' energy: -67.318 flat angles C4'-P-C4' energy: -79.518 flat angles P-C4'-P energy: -39.715 tors. eta vs tors. theta energy: -10.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -464.324581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.324581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.324581 (E_RNA) where: Base-Base interactions energy: -197.300 where: short stacking energy: -106.930 Base-Backbone interact. energy: 0.183 local terms energy: -267.207872 where: bonds (distance) C4'-P energy: -91.131 bonds (distance) P-C4' energy: -79.277 flat angles C4'-P-C4' energy: -67.396 flat angles P-C4'-P energy: -37.128 tors. eta vs tors. theta energy: 7.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1601.429282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.429282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.429282 (E_RNA) where: Base-Base interactions energy: -1107.468 where: short stacking energy: -460.566 Base-Backbone interact. energy: -2.331 local terms energy: -491.630480 where: bonds (distance) C4'-P energy: -93.068 bonds (distance) P-C4' energy: -97.183 flat angles C4'-P-C4' energy: -96.823 flat angles P-C4'-P energy: -66.602 tors. eta vs tors. theta energy: -137.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1558.183241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.183241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.183241 (E_RNA) where: Base-Base interactions energy: -1092.674 where: short stacking energy: -435.393 Base-Backbone interact. energy: 0.711 local terms energy: -466.220293 where: bonds (distance) C4'-P energy: -84.527 bonds (distance) P-C4' energy: -92.038 flat angles C4'-P-C4' energy: -100.040 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: -129.440 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: 3, replica: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1452.332445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.332445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.332445 (E_RNA) where: Base-Base interactions energy: -956.296 where: short stacking energy: -432.123 Base-Backbone interact. energy: -0.705 local terms energy: -495.331975 where: bonds (distance) C4'-P energy: -84.784 bonds (distance) P-C4' energy: -101.286 flat angles C4'-P-C4' energy: -103.915 flat angles P-C4'-P energy: -69.587 tors. eta vs tors. theta energy: -135.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1384.358211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.358211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.358211 (E_RNA) where: Base-Base interactions energy: -985.983 where: short stacking energy: -419.939 Base-Backbone interact. energy: -3.646 local terms energy: -394.729321 where: bonds (distance) C4'-P energy: -61.009 bonds (distance) P-C4' energy: -70.340 flat angles C4'-P-C4' energy: -92.377 flat angles P-C4'-P energy: -58.670 tors. eta vs tors. theta energy: -112.333 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: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1354.134017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.134017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.134017 (E_RNA) where: Base-Base interactions energy: -961.159 where: short stacking energy: -380.034 Base-Backbone interact. energy: -1.682 local terms energy: -391.292565 where: bonds (distance) C4'-P energy: -85.667 bonds (distance) P-C4' energy: -63.167 flat angles C4'-P-C4' energy: -82.628 flat angles P-C4'-P energy: -56.043 tors. eta vs tors. theta energy: -103.787 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: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1155.430597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.430597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.430597 (E_RNA) where: Base-Base interactions energy: -765.017 where: short stacking energy: -342.386 Base-Backbone interact. energy: 1.288 local terms energy: -391.701546 where: bonds (distance) C4'-P energy: -93.456 bonds (distance) P-C4' energy: -71.420 flat angles C4'-P-C4' energy: -91.189 flat angles P-C4'-P energy: -47.713 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: 7, replica: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -813.842411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.842411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.842411 (E_RNA) where: Base-Base interactions energy: -488.315 where: short stacking energy: -244.018 Base-Backbone interact. energy: 1.141 local terms energy: -326.668831 where: bonds (distance) C4'-P energy: -88.140 bonds (distance) P-C4' energy: -69.189 flat angles C4'-P-C4' energy: -77.191 flat angles P-C4'-P energy: -45.388 tors. eta vs tors. theta energy: -46.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -706.311124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.311124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.311124 (E_RNA) where: Base-Base interactions energy: -403.321 where: short stacking energy: -195.651 Base-Backbone interact. energy: 5.239 local terms energy: -308.228569 where: bonds (distance) C4'-P energy: -79.239 bonds (distance) P-C4' energy: -82.580 flat angles C4'-P-C4' energy: -68.120 flat angles P-C4'-P energy: -50.722 tors. eta vs tors. theta energy: -27.568 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: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -624.445467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.445467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.445467 (E_RNA) where: Base-Base interactions energy: -328.863 where: short stacking energy: -182.793 Base-Backbone interact. energy: -2.932 local terms energy: -292.651176 where: bonds (distance) C4'-P energy: -65.408 bonds (distance) P-C4' energy: -80.699 flat angles C4'-P-C4' energy: -77.254 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: -21.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -490.990129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.990129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.990129 (E_RNA) where: Base-Base interactions energy: -241.280 where: short stacking energy: -129.189 Base-Backbone interact. energy: -3.187 local terms energy: -246.522882 where: bonds (distance) C4'-P energy: -84.230 bonds (distance) P-C4' energy: -69.746 flat angles C4'-P-C4' energy: -58.938 flat angles P-C4'-P energy: -42.692 tors. eta vs tors. theta energy: 9.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1615.360863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.360863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.360863 (E_RNA) where: Base-Base interactions energy: -1108.068 where: short stacking energy: -458.696 Base-Backbone interact. energy: 0.052 local terms energy: -507.344258 where: bonds (distance) C4'-P energy: -84.315 bonds (distance) P-C4' energy: -93.870 flat angles C4'-P-C4' energy: -107.689 flat angles P-C4'-P energy: -75.600 tors. eta vs tors. theta energy: -145.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1551.205940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.205940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.205940 (E_RNA) where: Base-Base interactions energy: -1085.274 where: short stacking energy: -419.413 Base-Backbone interact. energy: -1.767 local terms energy: -464.164785 where: bonds (distance) C4'-P energy: -88.384 bonds (distance) P-C4' energy: -79.959 flat angles C4'-P-C4' energy: -99.610 flat angles P-C4'-P energy: -76.612 tors. eta vs tors. theta energy: -119.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1436.894081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.894081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.894081 (E_RNA) where: Base-Base interactions energy: -950.915 where: short stacking energy: -428.107 Base-Backbone interact. energy: -1.521 local terms energy: -484.458193 where: bonds (distance) C4'-P energy: -90.673 bonds (distance) P-C4' energy: -86.890 flat angles C4'-P-C4' energy: -96.850 flat angles P-C4'-P energy: -77.644 tors. eta vs tors. theta energy: -132.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1375.853858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.853858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.853858 (E_RNA) where: Base-Base interactions energy: -928.487 where: short stacking energy: -378.185 Base-Backbone interact. energy: -1.426 local terms energy: -445.940528 where: bonds (distance) C4'-P energy: -96.262 bonds (distance) P-C4' energy: -99.259 flat angles C4'-P-C4' energy: -79.069 flat angles P-C4'-P energy: -61.579 tors. eta vs tors. theta energy: -109.772 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: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1344.615087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.615087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.615087 (E_RNA) where: Base-Base interactions energy: -919.867 where: short stacking energy: -388.980 Base-Backbone interact. energy: 0.834 local terms energy: -425.581923 where: bonds (distance) C4'-P energy: -83.045 bonds (distance) P-C4' energy: -75.669 flat angles C4'-P-C4' energy: -92.636 flat angles P-C4'-P energy: -64.574 tors. eta vs tors. theta energy: -109.657 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: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1152.922723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.922723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.922723 (E_RNA) where: Base-Base interactions energy: -746.144 where: short stacking energy: -341.361 Base-Backbone interact. energy: 1.800 local terms energy: -408.578447 where: bonds (distance) C4'-P energy: -82.358 bonds (distance) P-C4' energy: -94.515 flat angles C4'-P-C4' energy: -85.896 flat angles P-C4'-P energy: -59.770 tors. eta vs tors. theta energy: -86.039 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: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -833.549093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.549093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.549093 (E_RNA) where: Base-Base interactions energy: -521.243 where: short stacking energy: -243.333 Base-Backbone interact. energy: 1.071 local terms energy: -313.376730 where: bonds (distance) C4'-P energy: -53.209 bonds (distance) P-C4' energy: -84.833 flat angles C4'-P-C4' energy: -74.131 flat angles P-C4'-P energy: -51.090 tors. eta vs tors. theta energy: -50.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -799.171007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.171007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.171007 (E_RNA) where: Base-Base interactions energy: -482.659 where: short stacking energy: -220.306 Base-Backbone interact. energy: -3.205 local terms energy: -313.307054 where: bonds (distance) C4'-P energy: -79.837 bonds (distance) P-C4' energy: -62.214 flat angles C4'-P-C4' energy: -69.234 flat angles P-C4'-P energy: -49.506 tors. eta vs tors. theta energy: -52.516 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: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -614.815903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.815903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.815903 (E_RNA) where: Base-Base interactions energy: -344.643 where: short stacking energy: -165.587 Base-Backbone interact. energy: -1.890 local terms energy: -268.282682 where: bonds (distance) C4'-P energy: -68.509 bonds (distance) P-C4' energy: -75.334 flat angles C4'-P-C4' energy: -77.103 flat angles P-C4'-P energy: -38.320 tors. eta vs tors. theta energy: -9.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -504.225473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.225473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.225473 (E_RNA) where: Base-Base interactions energy: -238.783 where: short stacking energy: -129.007 Base-Backbone interact. energy: -0.382 local terms energy: -265.059945 where: bonds (distance) C4'-P energy: -73.081 bonds (distance) P-C4' energy: -78.675 flat angles C4'-P-C4' energy: -72.421 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: 4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1612.579407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.579407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.579407 (E_RNA) where: Base-Base interactions energy: -1112.366 where: short stacking energy: -447.507 Base-Backbone interact. energy: -3.359 local terms energy: -496.854399 where: bonds (distance) C4'-P energy: -90.487 bonds (distance) P-C4' energy: -94.967 flat angles C4'-P-C4' energy: -102.261 flat angles P-C4'-P energy: -69.880 tors. eta vs tors. theta energy: -139.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1526.123145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.123145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.123145 (E_RNA) where: Base-Base interactions energy: -1047.129 where: short stacking energy: -422.170 Base-Backbone interact. energy: -2.259 local terms energy: -476.735734 where: bonds (distance) C4'-P energy: -79.476 bonds (distance) P-C4' energy: -93.256 flat angles C4'-P-C4' energy: -108.189 flat angles P-C4'-P energy: -68.116 tors. eta vs tors. theta energy: -127.698 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: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1476.417567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.417567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.417567 (E_RNA) where: Base-Base interactions energy: -981.103 where: short stacking energy: -448.685 Base-Backbone interact. energy: -2.438 local terms energy: -492.876884 where: bonds (distance) C4'-P energy: -89.139 bonds (distance) P-C4' energy: -89.703 flat angles C4'-P-C4' energy: -106.022 flat angles P-C4'-P energy: -70.360 tors. eta vs tors. theta energy: -137.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1386.600153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.600153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.600153 (E_RNA) where: Base-Base interactions energy: -950.012 where: short stacking energy: -391.559 Base-Backbone interact. energy: -2.796 local terms energy: -433.791547 where: bonds (distance) C4'-P energy: -96.892 bonds (distance) P-C4' energy: -83.075 flat angles C4'-P-C4' energy: -94.395 flat angles P-C4'-P energy: -51.207 tors. eta vs tors. theta energy: -108.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1308.573147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.573147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.573147 (E_RNA) where: Base-Base interactions energy: -900.341 where: short stacking energy: -384.249 Base-Backbone interact. energy: -3.505 local terms energy: -404.727795 where: bonds (distance) C4'-P energy: -66.263 bonds (distance) P-C4' energy: -84.774 flat angles C4'-P-C4' energy: -89.322 flat angles P-C4'-P energy: -58.248 tors. eta vs tors. theta energy: -106.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1144.101596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.101596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.101596 (E_RNA) where: Base-Base interactions energy: -739.925 where: short stacking energy: -332.354 Base-Backbone interact. energy: -0.741 local terms energy: -403.435792 where: bonds (distance) C4'-P energy: -77.943 bonds (distance) P-C4' energy: -78.087 flat angles C4'-P-C4' energy: -99.558 flat angles P-C4'-P energy: -48.778 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: 7, replica: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -885.145545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.145545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.145545 (E_RNA) where: Base-Base interactions energy: -531.581 where: short stacking energy: -278.296 Base-Backbone interact. energy: -1.419 local terms energy: -352.145724 where: bonds (distance) C4'-P energy: -74.229 bonds (distance) P-C4' energy: -77.795 flat angles C4'-P-C4' energy: -81.856 flat angles P-C4'-P energy: -49.166 tors. eta vs tors. theta energy: -69.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -810.560208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.560208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.560208 (E_RNA) where: Base-Base interactions energy: -467.234 where: short stacking energy: -252.068 Base-Backbone interact. energy: -0.460 local terms energy: -342.866874 where: bonds (distance) C4'-P energy: -72.298 bonds (distance) P-C4' energy: -87.688 flat angles C4'-P-C4' energy: -83.617 flat angles P-C4'-P energy: -46.817 tors. eta vs tors. theta energy: -52.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -660.832858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.832858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.832858 (E_RNA) where: Base-Base interactions energy: -379.968 where: short stacking energy: -175.293 Base-Backbone interact. energy: 5.717 local terms energy: -286.581371 where: bonds (distance) C4'-P energy: -66.414 bonds (distance) P-C4' energy: -70.648 flat angles C4'-P-C4' energy: -78.035 flat angles P-C4'-P energy: -55.214 tors. eta vs tors. theta energy: -16.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -509.049952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.049952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.049952 (E_RNA) where: Base-Base interactions energy: -256.483 where: short stacking energy: -172.858 Base-Backbone interact. energy: -1.561 local terms energy: -251.005802 where: bonds (distance) C4'-P energy: -85.490 bonds (distance) P-C4' energy: -75.404 flat angles C4'-P-C4' energy: -61.363 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -20.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1621.345292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.345292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.345292 (E_RNA) where: Base-Base interactions energy: -1135.389 where: short stacking energy: -474.695 Base-Backbone interact. energy: 0.506 local terms energy: -486.462085 where: bonds (distance) C4'-P energy: -75.016 bonds (distance) P-C4' energy: -94.124 flat angles C4'-P-C4' energy: -103.039 flat angles P-C4'-P energy: -64.211 tors. eta vs tors. theta energy: -150.072 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: 287 Temperature: 0.950000 Total energy: -1533.653266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.653266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.653266 (E_RNA) where: Base-Base interactions energy: -1058.796 where: short stacking energy: -424.978 Base-Backbone interact. energy: -0.566 local terms energy: -474.291734 where: bonds (distance) C4'-P energy: -86.340 bonds (distance) P-C4' energy: -80.965 flat angles C4'-P-C4' energy: -102.020 flat angles P-C4'-P energy: -78.263 tors. eta vs tors. theta energy: -126.704 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: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1457.174877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.174877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.174877 (E_RNA) where: Base-Base interactions energy: -978.034 where: short stacking energy: -414.935 Base-Backbone interact. energy: -1.405 local terms energy: -477.735595 where: bonds (distance) C4'-P energy: -91.314 bonds (distance) P-C4' energy: -78.350 flat angles C4'-P-C4' energy: -96.837 flat angles P-C4'-P energy: -73.247 tors. eta vs tors. theta energy: -137.988 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: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1385.324852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.324852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.324852 (E_RNA) where: Base-Base interactions energy: -953.321 where: short stacking energy: -361.622 Base-Backbone interact. energy: 1.962 local terms energy: -433.965365 where: bonds (distance) C4'-P energy: -89.364 bonds (distance) P-C4' energy: -88.346 flat angles C4'-P-C4' energy: -108.776 flat angles P-C4'-P energy: -49.703 tors. eta vs tors. theta energy: -97.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1389.852203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.852203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.852203 (E_RNA) where: Base-Base interactions energy: -943.497 where: short stacking energy: -389.935 Base-Backbone interact. energy: -1.336 local terms energy: -445.019422 where: bonds (distance) C4'-P energy: -86.172 bonds (distance) P-C4' energy: -94.618 flat angles C4'-P-C4' energy: -93.466 flat angles P-C4'-P energy: -61.866 tors. eta vs tors. theta energy: -108.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1150.949111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.949111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.949111 (E_RNA) where: Base-Base interactions energy: -761.169 where: short stacking energy: -350.143 Base-Backbone interact. energy: 0.223 local terms energy: -390.002901 where: bonds (distance) C4'-P energy: -69.275 bonds (distance) P-C4' energy: -65.432 flat angles C4'-P-C4' energy: -98.656 flat angles P-C4'-P energy: -58.900 tors. eta vs tors. theta energy: -97.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -862.619363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.619363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.619363 (E_RNA) where: Base-Base interactions energy: -506.399 where: short stacking energy: -258.200 Base-Backbone interact. energy: -1.503 local terms energy: -354.717484 where: bonds (distance) C4'-P energy: -88.099 bonds (distance) P-C4' energy: -70.323 flat angles C4'-P-C4' energy: -88.842 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -56.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -815.426066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.426066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.426066 (E_RNA) where: Base-Base interactions energy: -487.006 where: short stacking energy: -234.574 Base-Backbone interact. energy: -0.864 local terms energy: -327.556183 where: bonds (distance) C4'-P energy: -79.463 bonds (distance) P-C4' energy: -76.688 flat angles C4'-P-C4' energy: -77.660 flat angles P-C4'-P energy: -47.828 tors. eta vs tors. theta energy: -45.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -624.650271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.650271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.650271 (E_RNA) where: Base-Base interactions energy: -342.983 where: short stacking energy: -199.374 Base-Backbone interact. energy: -0.818 local terms energy: -280.849560 where: bonds (distance) C4'-P energy: -79.487 bonds (distance) P-C4' energy: -70.164 flat angles C4'-P-C4' energy: -68.298 flat angles P-C4'-P energy: -35.729 tors. eta vs tors. theta energy: -27.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -503.019873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.019873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.019873 (E_RNA) where: Base-Base interactions energy: -264.644 where: short stacking energy: -154.018 Base-Backbone interact. energy: 0.579 local terms energy: -238.954800 where: bonds (distance) C4'-P energy: -65.840 bonds (distance) P-C4' energy: -78.069 flat angles C4'-P-C4' energy: -72.152 flat angles P-C4'-P energy: -31.373 tors. eta vs tors. theta energy: 8.478 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: 2 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1603.626286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.626286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.626286 (E_RNA) where: Base-Base interactions energy: -1109.270 where: short stacking energy: -448.797 Base-Backbone interact. energy: -2.214 local terms energy: -492.141601 where: bonds (distance) C4'-P energy: -88.077 bonds (distance) P-C4' energy: -101.405 flat angles C4'-P-C4' energy: -92.375 flat angles P-C4'-P energy: -68.234 tors. eta vs tors. theta energy: -142.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1538.024283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.024283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.024283 (E_RNA) where: Base-Base interactions energy: -1050.912 where: short stacking energy: -417.644 Base-Backbone interact. energy: -3.239 local terms energy: -483.873085 where: bonds (distance) C4'-P energy: -90.953 bonds (distance) P-C4' energy: -89.212 flat angles C4'-P-C4' energy: -108.046 flat angles P-C4'-P energy: -70.697 tors. eta vs tors. theta energy: -124.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1483.527843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.527843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.527843 (E_RNA) where: Base-Base interactions energy: -997.236 where: short stacking energy: -437.011 Base-Backbone interact. energy: -2.849 local terms energy: -483.442818 where: bonds (distance) C4'-P energy: -85.429 bonds (distance) P-C4' energy: -91.256 flat angles C4'-P-C4' energy: -103.437 flat angles P-C4'-P energy: -66.358 tors. eta vs tors. theta energy: -136.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1370.618799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.618799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.618799 (E_RNA) where: Base-Base interactions energy: -939.027 where: short stacking energy: -404.455 Base-Backbone interact. energy: -2.029 local terms energy: -429.563326 where: bonds (distance) C4'-P energy: -90.867 bonds (distance) P-C4' energy: -86.472 flat angles C4'-P-C4' energy: -88.760 flat angles P-C4'-P energy: -57.565 tors. eta vs tors. theta energy: -105.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1352.807993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.807993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.807993 (E_RNA) where: Base-Base interactions energy: -915.285 where: short stacking energy: -381.943 Base-Backbone interact. energy: -0.267 local terms energy: -437.255870 where: bonds (distance) C4'-P energy: -86.372 bonds (distance) P-C4' energy: -78.848 flat angles C4'-P-C4' energy: -96.500 flat angles P-C4'-P energy: -64.335 tors. eta vs tors. theta energy: -111.202 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: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1119.385398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.385398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.385398 (E_RNA) where: Base-Base interactions energy: -731.294 where: short stacking energy: -320.518 Base-Backbone interact. energy: 1.935 local terms energy: -390.026312 where: bonds (distance) C4'-P energy: -72.875 bonds (distance) P-C4' energy: -84.718 flat angles C4'-P-C4' energy: -96.263 flat angles P-C4'-P energy: -60.307 tors. eta vs tors. theta energy: -75.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -845.540002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.540002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.540002 (E_RNA) where: Base-Base interactions energy: -510.534 where: short stacking energy: -238.149 Base-Backbone interact. energy: -0.829 local terms energy: -334.176784 where: bonds (distance) C4'-P energy: -77.107 bonds (distance) P-C4' energy: -79.303 flat angles C4'-P-C4' energy: -78.012 flat angles P-C4'-P energy: -49.221 tors. eta vs tors. theta energy: -50.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -748.582001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.582001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.582001 (E_RNA) where: Base-Base interactions energy: -452.365 where: short stacking energy: -231.459 Base-Backbone interact. energy: 0.175 local terms energy: -296.391890 where: bonds (distance) C4'-P energy: -67.144 bonds (distance) P-C4' energy: -71.023 flat angles C4'-P-C4' energy: -71.607 flat angles P-C4'-P energy: -47.278 tors. eta vs tors. theta energy: -39.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -640.449966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.449966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.449966 (E_RNA) where: Base-Base interactions energy: -346.623 where: short stacking energy: -170.768 Base-Backbone interact. energy: 7.154 local terms energy: -300.980368 where: bonds (distance) C4'-P energy: -68.382 bonds (distance) P-C4' energy: -79.013 flat angles C4'-P-C4' energy: -85.540 flat angles P-C4'-P energy: -50.572 tors. eta vs tors. theta energy: -17.474 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: 9 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -480.562413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.562413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.562413 (E_RNA) where: Base-Base interactions energy: -228.126 where: short stacking energy: -126.926 Base-Backbone interact. energy: 5.141 local terms energy: -257.577579 where: bonds (distance) C4'-P energy: -67.671 bonds (distance) P-C4' energy: -81.548 flat angles C4'-P-C4' energy: -70.886 flat angles P-C4'-P energy: -31.106 tors. eta vs tors. theta energy: -6.367 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: 2 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1612.288520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.288520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.288520 (E_RNA) where: Base-Base interactions energy: -1114.277 where: short stacking energy: -428.251 Base-Backbone interact. energy: -1.410 local terms energy: -496.600974 where: bonds (distance) C4'-P energy: -92.228 bonds (distance) P-C4' energy: -93.957 flat angles C4'-P-C4' energy: -105.578 flat angles P-C4'-P energy: -66.638 tors. eta vs tors. theta energy: -138.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1544.053551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.053551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.053551 (E_RNA) where: Base-Base interactions energy: -1081.388 where: short stacking energy: -424.847 Base-Backbone interact. energy: -0.397 local terms energy: -462.268137 where: bonds (distance) C4'-P energy: -91.049 bonds (distance) P-C4' energy: -80.759 flat angles C4'-P-C4' energy: -95.529 flat angles P-C4'-P energy: -67.664 tors. eta vs tors. theta energy: -127.267 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: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1488.093298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.093298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.093298 (E_RNA) where: Base-Base interactions energy: -1015.372 where: short stacking energy: -421.564 Base-Backbone interact. energy: -1.443 local terms energy: -471.278249 where: bonds (distance) C4'-P energy: -85.456 bonds (distance) P-C4' energy: -86.375 flat angles C4'-P-C4' energy: -102.316 flat angles P-C4'-P energy: -60.877 tors. eta vs tors. theta energy: -136.255 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: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1436.820076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.820076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.820076 (E_RNA) where: Base-Base interactions energy: -989.049 where: short stacking energy: -412.979 Base-Backbone interact. energy: -1.261 local terms energy: -446.510143 where: bonds (distance) C4'-P energy: -73.911 bonds (distance) P-C4' energy: -77.521 flat angles C4'-P-C4' energy: -99.261 flat angles P-C4'-P energy: -70.072 tors. eta vs tors. theta energy: -125.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1370.602241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.602241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.602241 (E_RNA) where: Base-Base interactions energy: -909.524 where: short stacking energy: -404.815 Base-Backbone interact. energy: -2.349 local terms energy: -458.729712 where: bonds (distance) C4'-P energy: -84.910 bonds (distance) P-C4' energy: -89.414 flat angles C4'-P-C4' energy: -104.776 flat angles P-C4'-P energy: -58.384 tors. eta vs tors. theta energy: -121.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1067.557206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.557206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.557206 (E_RNA) where: Base-Base interactions energy: -700.044 where: short stacking energy: -314.519 Base-Backbone interact. energy: 7.301 local terms energy: -374.814297 where: bonds (distance) C4'-P energy: -66.999 bonds (distance) P-C4' energy: -89.163 flat angles C4'-P-C4' energy: -86.027 flat angles P-C4'-P energy: -57.202 tors. eta vs tors. theta energy: -75.423 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: 7 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -810.313203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.313203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.313203 (E_RNA) where: Base-Base interactions energy: -483.748 where: short stacking energy: -245.410 Base-Backbone interact. energy: -1.084 local terms energy: -325.480817 where: bonds (distance) C4'-P energy: -75.839 bonds (distance) P-C4' energy: -82.448 flat angles C4'-P-C4' energy: -76.221 flat angles P-C4'-P energy: -51.262 tors. eta vs tors. theta energy: -39.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -759.312750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.312750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.312750 (E_RNA) where: Base-Base interactions energy: -432.925 where: short stacking energy: -215.148 Base-Backbone interact. energy: 0.992 local terms energy: -327.380402 where: bonds (distance) C4'-P energy: -92.683 bonds (distance) P-C4' energy: -73.323 flat angles C4'-P-C4' energy: -68.107 flat angles P-C4'-P energy: -54.759 tors. eta vs tors. theta energy: -38.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -612.432853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.432853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.432853 (E_RNA) where: Base-Base interactions energy: -319.179 where: short stacking energy: -140.819 Base-Backbone interact. energy: -2.107 local terms energy: -291.146994 where: bonds (distance) C4'-P energy: -79.621 bonds (distance) P-C4' energy: -79.462 flat angles C4'-P-C4' energy: -75.745 flat angles P-C4'-P energy: -45.499 tors. eta vs tors. theta energy: -10.820 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: 9 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -504.069174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.069174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.069174 (E_RNA) where: Base-Base interactions energy: -236.490 where: short stacking energy: -120.793 Base-Backbone interact. energy: -1.871 local terms energy: -265.708771 where: bonds (distance) C4'-P energy: -75.246 bonds (distance) P-C4' energy: -74.535 flat angles C4'-P-C4' energy: -78.787 flat angles P-C4'-P energy: -41.173 tors. eta vs tors. theta energy: 4.032 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: 1, replica: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1586.580634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.580634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.580634 (E_RNA) where: Base-Base interactions energy: -1101.065 where: short stacking energy: -431.045 Base-Backbone interact. energy: -0.441 local terms energy: -485.074603 where: bonds (distance) C4'-P energy: -92.151 bonds (distance) P-C4' energy: -100.190 flat angles C4'-P-C4' energy: -94.639 flat angles P-C4'-P energy: -67.642 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: 2, replica: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1507.323921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.323921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.323921 (E_RNA) where: Base-Base interactions energy: -1028.323 where: short stacking energy: -399.693 Base-Backbone interact. energy: -1.180 local terms energy: -477.820604 where: bonds (distance) C4'-P energy: -93.427 bonds (distance) P-C4' energy: -93.618 flat angles C4'-P-C4' energy: -108.953 flat angles P-C4'-P energy: -66.039 tors. eta vs tors. theta energy: -115.784 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: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1494.873200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.873200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.873200 (E_RNA) where: Base-Base interactions energy: -1011.346 where: short stacking energy: -447.180 Base-Backbone interact. energy: -0.954 local terms energy: -482.573054 where: bonds (distance) C4'-P energy: -81.732 bonds (distance) P-C4' energy: -84.077 flat angles C4'-P-C4' energy: -106.016 flat angles P-C4'-P energy: -67.626 tors. eta vs tors. theta energy: -143.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1416.896024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.896024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.896024 (E_RNA) where: Base-Base interactions energy: -976.371 where: short stacking energy: -413.123 Base-Backbone interact. energy: -1.389 local terms energy: -439.135759 where: bonds (distance) C4'-P energy: -83.253 bonds (distance) P-C4' energy: -83.353 flat angles C4'-P-C4' energy: -94.652 flat angles P-C4'-P energy: -57.308 tors. eta vs tors. theta energy: -120.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1347.522545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.522545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.522545 (E_RNA) where: Base-Base interactions energy: -924.786 where: short stacking energy: -403.757 Base-Backbone interact. energy: -0.647 local terms energy: -422.089226 where: bonds (distance) C4'-P energy: -77.441 bonds (distance) P-C4' energy: -71.376 flat angles C4'-P-C4' energy: -86.985 flat angles P-C4'-P energy: -66.402 tors. eta vs tors. theta energy: -119.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1077.033825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.033825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.033825 (E_RNA) where: Base-Base interactions energy: -701.181 where: short stacking energy: -322.993 Base-Backbone interact. energy: -0.912 local terms energy: -374.941087 where: bonds (distance) C4'-P energy: -79.393 bonds (distance) P-C4' energy: -88.069 flat angles C4'-P-C4' energy: -71.082 flat angles P-C4'-P energy: -51.210 tors. eta vs tors. theta energy: -85.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -768.481092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.481092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.481092 (E_RNA) where: Base-Base interactions energy: -475.039 where: short stacking energy: -230.660 Base-Backbone interact. energy: -1.552 local terms energy: -291.889701 where: bonds (distance) C4'-P energy: -67.896 bonds (distance) P-C4' energy: -75.493 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -52.200 tors. eta vs tors. theta energy: -29.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -744.824097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.824097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.824097 (E_RNA) where: Base-Base interactions energy: -413.133 where: short stacking energy: -234.383 Base-Backbone interact. energy: -1.790 local terms energy: -329.901323 where: bonds (distance) C4'-P energy: -86.645 bonds (distance) P-C4' energy: -75.143 flat angles C4'-P-C4' energy: -70.984 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -49.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -595.871865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.871865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.871865 (E_RNA) where: Base-Base interactions energy: -360.406 where: short stacking energy: -158.825 Base-Backbone interact. energy: 6.892 local terms energy: -242.357975 where: bonds (distance) C4'-P energy: -67.685 bonds (distance) P-C4' energy: -79.182 flat angles C4'-P-C4' energy: -64.162 flat angles P-C4'-P energy: -29.949 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -520.065549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.065549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.065549 (E_RNA) where: Base-Base interactions energy: -277.800 where: short stacking energy: -157.280 Base-Backbone interact. energy: 2.265 local terms energy: -244.530679 where: bonds (distance) C4'-P energy: -69.072 bonds (distance) P-C4' energy: -76.760 flat angles C4'-P-C4' energy: -44.729 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: -6.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1584.726136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.726136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.726136 (E_RNA) where: Base-Base interactions energy: -1103.546 where: short stacking energy: -449.376 Base-Backbone interact. energy: -0.050 local terms energy: -481.129417 where: bonds (distance) C4'-P energy: -86.219 bonds (distance) P-C4' energy: -88.979 flat angles C4'-P-C4' energy: -101.021 flat angles P-C4'-P energy: -68.710 tors. eta vs tors. theta energy: -136.201 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: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1527.679769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.679769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.679769 (E_RNA) where: Base-Base interactions energy: -1023.666 where: short stacking energy: -448.682 Base-Backbone interact. energy: -1.417 local terms energy: -502.596666 where: bonds (distance) C4'-P energy: -99.469 bonds (distance) P-C4' energy: -92.069 flat angles C4'-P-C4' energy: -100.753 flat angles P-C4'-P energy: -65.692 tors. eta vs tors. theta energy: -144.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1490.434468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.434468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.434468 (E_RNA) where: Base-Base interactions energy: -1017.096 where: short stacking energy: -411.334 Base-Backbone interact. energy: -5.821 local terms energy: -467.517735 where: bonds (distance) C4'-P energy: -86.866 bonds (distance) P-C4' energy: -89.898 flat angles C4'-P-C4' energy: -99.522 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -122.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1446.697640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.697640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.697640 (E_RNA) where: Base-Base interactions energy: -990.576 where: short stacking energy: -417.967 Base-Backbone interact. energy: -1.633 local terms energy: -454.488886 where: bonds (distance) C4'-P energy: -85.609 bonds (distance) P-C4' energy: -78.630 flat angles C4'-P-C4' energy: -105.421 flat angles P-C4'-P energy: -61.684 tors. eta vs tors. theta energy: -123.145 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: 3 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1332.789305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.789305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.789305 (E_RNA) where: Base-Base interactions energy: -927.126 where: short stacking energy: -389.320 Base-Backbone interact. energy: -0.738 local terms energy: -404.925443 where: bonds (distance) C4'-P energy: -70.750 bonds (distance) P-C4' energy: -72.997 flat angles C4'-P-C4' energy: -98.143 flat angles P-C4'-P energy: -49.558 tors. eta vs tors. theta energy: -113.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1100.802914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.802914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.802914 (E_RNA) where: Base-Base interactions energy: -699.069 where: short stacking energy: -348.242 Base-Backbone interact. energy: -1.568 local terms energy: -400.165726 where: bonds (distance) C4'-P energy: -90.157 bonds (distance) P-C4' energy: -88.318 flat angles C4'-P-C4' energy: -88.580 flat angles P-C4'-P energy: -40.572 tors. eta vs tors. theta energy: -92.538 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: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -764.841384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.841384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.841384 (E_RNA) where: Base-Base interactions energy: -442.404 where: short stacking energy: -225.294 Base-Backbone interact. energy: -0.652 local terms energy: -321.786229 where: bonds (distance) C4'-P energy: -72.502 bonds (distance) P-C4' energy: -92.050 flat angles C4'-P-C4' energy: -82.490 flat angles P-C4'-P energy: -35.402 tors. eta vs tors. theta energy: -39.342 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: 291 Temperature: 1.250000 Total energy: -748.683608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.683608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.683608 (E_RNA) where: Base-Base interactions energy: -451.802 where: short stacking energy: -232.636 Base-Backbone interact. energy: -3.084 local terms energy: -293.797137 where: bonds (distance) C4'-P energy: -79.554 bonds (distance) P-C4' energy: -61.066 flat angles C4'-P-C4' energy: -72.534 flat angles P-C4'-P energy: -41.198 tors. eta vs tors. theta energy: -39.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -568.413473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.413473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.413473 (E_RNA) where: Base-Base interactions energy: -279.747 where: short stacking energy: -145.725 Base-Backbone interact. energy: 1.581 local terms energy: -290.247657 where: bonds (distance) C4'-P energy: -77.401 bonds (distance) P-C4' energy: -68.267 flat angles C4'-P-C4' energy: -78.503 flat angles P-C4'-P energy: -48.272 tors. eta vs tors. theta energy: -17.805 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: 10, replica: 9 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -533.419813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.419813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.419813 (E_RNA) where: Base-Base interactions energy: -272.542 where: short stacking energy: -154.180 Base-Backbone interact. energy: 0.769 local terms energy: -261.646141 where: bonds (distance) C4'-P energy: -65.742 bonds (distance) P-C4' energy: -68.212 flat angles C4'-P-C4' energy: -79.782 flat angles P-C4'-P energy: -45.228 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1567.068178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.068178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.068178 (E_RNA) where: Base-Base interactions energy: -1047.643 where: short stacking energy: -472.157 Base-Backbone interact. energy: -0.996 local terms energy: -518.429444 where: bonds (distance) C4'-P energy: -85.927 bonds (distance) P-C4' energy: -93.091 flat angles C4'-P-C4' energy: -115.294 flat angles P-C4'-P energy: -71.553 tors. eta vs tors. theta energy: -152.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1600.126348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.126348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.126348 (E_RNA) where: Base-Base interactions energy: -1115.069 where: short stacking energy: -447.363 Base-Backbone interact. energy: -2.782 local terms energy: -482.275468 where: bonds (distance) C4'-P energy: -95.275 bonds (distance) P-C4' energy: -77.284 flat angles C4'-P-C4' energy: -102.047 flat angles P-C4'-P energy: -65.195 tors. eta vs tors. theta energy: -142.475 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: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1473.247081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.247081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.247081 (E_RNA) where: Base-Base interactions energy: -1010.866 where: short stacking energy: -405.524 Base-Backbone interact. energy: -3.678 local terms energy: -458.702376 where: bonds (distance) C4'-P energy: -87.621 bonds (distance) P-C4' energy: -79.900 flat angles C4'-P-C4' energy: -95.517 flat angles P-C4'-P energy: -66.971 tors. eta vs tors. theta energy: -128.693 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: 292 Temperature: 1.050000 Total energy: -1440.629074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.629074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.629074 (E_RNA) where: Base-Base interactions energy: -993.211 where: short stacking energy: -413.481 Base-Backbone interact. energy: 0.806 local terms energy: -448.223537 where: bonds (distance) C4'-P energy: -82.378 bonds (distance) P-C4' energy: -81.882 flat angles C4'-P-C4' energy: -102.938 flat angles P-C4'-P energy: -61.531 tors. eta vs tors. theta energy: -119.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1337.521425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.521425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.521425 (E_RNA) where: Base-Base interactions energy: -906.459 where: short stacking energy: -375.363 Base-Backbone interact. energy: -0.057 local terms energy: -431.005625 where: bonds (distance) C4'-P energy: -82.647 bonds (distance) P-C4' energy: -88.784 flat angles C4'-P-C4' energy: -83.592 flat angles P-C4'-P energy: -54.574 tors. eta vs tors. theta energy: -121.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1133.418753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.418753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.418753 (E_RNA) where: Base-Base interactions energy: -740.128 where: short stacking energy: -332.034 Base-Backbone interact. energy: -0.700 local terms energy: -392.591134 where: bonds (distance) C4'-P energy: -60.997 bonds (distance) P-C4' energy: -88.923 flat angles C4'-P-C4' energy: -92.876 flat angles P-C4'-P energy: -60.808 tors. eta vs tors. theta energy: -88.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -803.761574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.761574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.761574 (E_RNA) where: Base-Base interactions energy: -501.364 where: short stacking energy: -243.230 Base-Backbone interact. energy: -2.173 local terms energy: -300.225019 where: bonds (distance) C4'-P energy: -66.116 bonds (distance) P-C4' energy: -86.281 flat angles C4'-P-C4' energy: -76.891 flat angles P-C4'-P energy: -41.096 tors. eta vs tors. theta energy: -29.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -758.108558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.108558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.108558 (E_RNA) where: Base-Base interactions energy: -447.682 where: short stacking energy: -223.304 Base-Backbone interact. energy: -1.741 local terms energy: -308.685454 where: bonds (distance) C4'-P energy: -82.250 bonds (distance) P-C4' energy: -82.620 flat angles C4'-P-C4' energy: -81.494 flat angles P-C4'-P energy: -25.781 tors. eta vs tors. theta energy: -36.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -575.753299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.753299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.753299 (E_RNA) where: Base-Base interactions energy: -280.505 where: short stacking energy: -154.597 Base-Backbone interact. energy: -1.396 local terms energy: -293.851914 where: bonds (distance) C4'-P energy: -74.547 bonds (distance) P-C4' energy: -91.534 flat angles C4'-P-C4' energy: -73.286 flat angles P-C4'-P energy: -48.820 tors. eta vs tors. theta energy: -5.665 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: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -618.160878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.160878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.160878 (E_RNA) where: Base-Base interactions energy: -345.884 where: short stacking energy: -178.939 Base-Backbone interact. energy: -1.584 local terms energy: -270.692935 where: bonds (distance) C4'-P energy: -77.182 bonds (distance) P-C4' energy: -68.421 flat angles C4'-P-C4' energy: -66.208 flat angles P-C4'-P energy: -40.241 tors. eta vs tors. theta energy: -18.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1596.138176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.138176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.138176 (E_RNA) where: Base-Base interactions energy: -1075.736 where: short stacking energy: -464.634 Base-Backbone interact. energy: -0.881 local terms energy: -519.521140 where: bonds (distance) C4'-P energy: -90.420 bonds (distance) P-C4' energy: -90.624 flat angles C4'-P-C4' energy: -109.675 flat angles P-C4'-P energy: -76.272 tors. eta vs tors. theta energy: -152.530 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: 293 Temperature: 0.950000 Total energy: -1585.824025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.824025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.824025 (E_RNA) where: Base-Base interactions energy: -1112.171 where: short stacking energy: -441.587 Base-Backbone interact. energy: -1.642 local terms energy: -472.011534 where: bonds (distance) C4'-P energy: -87.131 bonds (distance) P-C4' energy: -89.504 flat angles C4'-P-C4' energy: -98.389 flat angles P-C4'-P energy: -69.629 tors. eta vs tors. theta energy: -127.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1502.967681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.967681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.967681 (E_RNA) where: Base-Base interactions energy: -1036.883 where: short stacking energy: -438.489 Base-Backbone interact. energy: 1.994 local terms energy: -468.078295 where: bonds (distance) C4'-P energy: -84.769 bonds (distance) P-C4' energy: -77.605 flat angles C4'-P-C4' energy: -96.749 flat angles P-C4'-P energy: -71.113 tors. eta vs tors. theta energy: -137.842 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: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1425.331961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.331961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.331961 (E_RNA) where: Base-Base interactions energy: -991.029 where: short stacking energy: -402.747 Base-Backbone interact. energy: -2.330 local terms energy: -431.972731 where: bonds (distance) C4'-P energy: -76.008 bonds (distance) P-C4' energy: -76.826 flat angles C4'-P-C4' energy: -95.590 flat angles P-C4'-P energy: -62.643 tors. eta vs tors. theta energy: -120.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1311.192233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.192233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.192233 (E_RNA) where: Base-Base interactions energy: -878.439 where: short stacking energy: -377.856 Base-Backbone interact. energy: -1.075 local terms energy: -431.678323 where: bonds (distance) C4'-P energy: -77.473 bonds (distance) P-C4' energy: -91.056 flat angles C4'-P-C4' energy: -98.846 flat angles P-C4'-P energy: -60.787 tors. eta vs tors. theta energy: -103.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1111.057207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.057207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.057207 (E_RNA) where: Base-Base interactions energy: -726.810 where: short stacking energy: -323.763 Base-Backbone interact. energy: -1.363 local terms energy: -382.884477 where: bonds (distance) C4'-P energy: -87.210 bonds (distance) P-C4' energy: -70.150 flat angles C4'-P-C4' energy: -92.865 flat angles P-C4'-P energy: -51.739 tors. eta vs tors. theta energy: -80.921 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: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -821.297776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.297776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.297776 (E_RNA) where: Base-Base interactions energy: -482.653 where: short stacking energy: -221.840 Base-Backbone interact. energy: -2.419 local terms energy: -336.226223 where: bonds (distance) C4'-P energy: -64.341 bonds (distance) P-C4' energy: -91.925 flat angles C4'-P-C4' energy: -88.051 flat angles P-C4'-P energy: -44.629 tors. eta vs tors. theta energy: -47.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -738.450502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.450502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.450502 (E_RNA) where: Base-Base interactions energy: -436.599 where: short stacking energy: -237.634 Base-Backbone interact. energy: 1.134 local terms energy: -302.985309 where: bonds (distance) C4'-P energy: -68.707 bonds (distance) P-C4' energy: -77.705 flat angles C4'-P-C4' energy: -68.857 flat angles P-C4'-P energy: -53.784 tors. eta vs tors. theta energy: -33.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -541.746434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.746434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.746434 (E_RNA) where: Base-Base interactions energy: -295.279 where: short stacking energy: -160.945 Base-Backbone interact. energy: -2.536 local terms energy: -243.931565 where: bonds (distance) C4'-P energy: -63.871 bonds (distance) P-C4' energy: -73.509 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -39.526 tors. eta vs tors. theta energy: 1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -603.011855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.011855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.011855 (E_RNA) where: Base-Base interactions energy: -337.972 where: short stacking energy: -173.795 Base-Backbone interact. energy: -0.449 local terms energy: -264.590343 where: bonds (distance) C4'-P energy: -50.519 bonds (distance) P-C4' energy: -85.369 flat angles C4'-P-C4' energy: -71.441 flat angles P-C4'-P energy: -41.101 tors. eta vs tors. theta energy: -16.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1604.393145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.393145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.393145 (E_RNA) where: Base-Base interactions energy: -1106.344 where: short stacking energy: -447.998 Base-Backbone interact. energy: 2.678 local terms energy: -500.726410 where: bonds (distance) C4'-P energy: -94.898 bonds (distance) P-C4' energy: -86.780 flat angles C4'-P-C4' energy: -112.811 flat angles P-C4'-P energy: -70.646 tors. eta vs tors. theta energy: -135.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1541.040263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.040263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.040263 (E_RNA) where: Base-Base interactions energy: -1061.050 where: short stacking energy: -461.064 Base-Backbone interact. energy: -1.872 local terms energy: -478.118152 where: bonds (distance) C4'-P energy: -80.493 bonds (distance) P-C4' energy: -80.368 flat angles C4'-P-C4' energy: -95.609 flat angles P-C4'-P energy: -79.493 tors. eta vs tors. theta energy: -142.154 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: 4 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1487.825590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.825590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.825590 (E_RNA) where: Base-Base interactions energy: -1028.214 where: short stacking energy: -420.475 Base-Backbone interact. energy: -1.076 local terms energy: -458.535573 where: bonds (distance) C4'-P energy: -84.041 bonds (distance) P-C4' energy: -88.466 flat angles C4'-P-C4' energy: -92.126 flat angles P-C4'-P energy: -64.631 tors. eta vs tors. theta energy: -129.271 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: 4, replica: 8 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1425.492094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.492094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.492094 (E_RNA) where: Base-Base interactions energy: -990.733 where: short stacking energy: -406.541 Base-Backbone interact. energy: -0.980 local terms energy: -433.779481 where: bonds (distance) C4'-P energy: -71.471 bonds (distance) P-C4' energy: -85.552 flat angles C4'-P-C4' energy: -93.735 flat angles P-C4'-P energy: -63.132 tors. eta vs tors. theta energy: -119.889 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: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1317.450445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.450445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.450445 (E_RNA) where: Base-Base interactions energy: -909.652 where: short stacking energy: -368.466 Base-Backbone interact. energy: -2.826 local terms energy: -404.971731 where: bonds (distance) C4'-P energy: -60.977 bonds (distance) P-C4' energy: -72.279 flat angles C4'-P-C4' energy: -89.723 flat angles P-C4'-P energy: -70.951 tors. eta vs tors. theta energy: -111.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1160.583722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.583722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.583722 (E_RNA) where: Base-Base interactions energy: -777.978 where: short stacking energy: -325.611 Base-Backbone interact. energy: 1.574 local terms energy: -384.179053 where: bonds (distance) C4'-P energy: -68.560 bonds (distance) P-C4' energy: -72.524 flat angles C4'-P-C4' energy: -84.002 flat angles P-C4'-P energy: -60.309 tors. eta vs tors. theta energy: -98.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -851.290346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.290346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.290346 (E_RNA) where: Base-Base interactions energy: -513.516 where: short stacking energy: -263.823 Base-Backbone interact. energy: -0.163 local terms energy: -337.611800 where: bonds (distance) C4'-P energy: -79.405 bonds (distance) P-C4' energy: -82.248 flat angles C4'-P-C4' energy: -81.998 flat angles P-C4'-P energy: -33.682 tors. eta vs tors. theta energy: -60.279 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: 8, replica: 7 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -734.123993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.123993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.123993 (E_RNA) where: Base-Base interactions energy: -437.214 where: short stacking energy: -218.330 Base-Backbone interact. energy: -1.302 local terms energy: -295.607854 where: bonds (distance) C4'-P energy: -74.922 bonds (distance) P-C4' energy: -72.013 flat angles C4'-P-C4' energy: -74.614 flat angles P-C4'-P energy: -38.943 tors. eta vs tors. theta energy: -35.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -591.119255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.119255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.119255 (E_RNA) where: Base-Base interactions energy: -321.844 where: short stacking energy: -149.136 Base-Backbone interact. energy: -2.793 local terms energy: -266.482129 where: bonds (distance) C4'-P energy: -56.938 bonds (distance) P-C4' energy: -83.204 flat angles C4'-P-C4' energy: -71.976 flat angles P-C4'-P energy: -50.086 tors. eta vs tors. theta energy: -4.278 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: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -508.193599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.193599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.193599 (E_RNA) where: Base-Base interactions energy: -268.396 where: short stacking energy: -151.385 Base-Backbone interact. energy: 2.111 local terms energy: -241.909120 where: bonds (distance) C4'-P energy: -76.367 bonds (distance) P-C4' energy: -67.821 flat angles C4'-P-C4' energy: -65.373 flat angles P-C4'-P energy: -39.869 tors. eta vs tors. theta energy: 7.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1597.792030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.792030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.792030 (E_RNA) where: Base-Base interactions energy: -1111.210 where: short stacking energy: -445.986 Base-Backbone interact. energy: -1.122 local terms energy: -485.459482 where: bonds (distance) C4'-P energy: -84.946 bonds (distance) P-C4' energy: -95.618 flat angles C4'-P-C4' energy: -103.147 flat angles P-C4'-P energy: -67.778 tors. eta vs tors. theta energy: -133.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1525.249995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.249995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.249995 (E_RNA) where: Base-Base interactions energy: -1035.923 where: short stacking energy: -437.782 Base-Backbone interact. energy: -0.813 local terms energy: -488.513799 where: bonds (distance) C4'-P energy: -83.884 bonds (distance) P-C4' energy: -86.122 flat angles C4'-P-C4' energy: -102.656 flat angles P-C4'-P energy: -78.907 tors. eta vs tors. theta energy: -136.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1494.907083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.907083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.907083 (E_RNA) where: Base-Base interactions energy: -1028.488 where: short stacking energy: -438.371 Base-Backbone interact. energy: -0.784 local terms energy: -465.635219 where: bonds (distance) C4'-P energy: -89.651 bonds (distance) P-C4' energy: -83.582 flat angles C4'-P-C4' energy: -102.791 flat angles P-C4'-P energy: -61.004 tors. eta vs tors. theta energy: -128.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1448.230632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.230632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.230632 (E_RNA) where: Base-Base interactions energy: -1027.500 where: short stacking energy: -410.684 Base-Backbone interact. energy: 2.216 local terms energy: -422.947499 where: bonds (distance) C4'-P energy: -81.758 bonds (distance) P-C4' energy: -76.255 flat angles C4'-P-C4' energy: -98.099 flat angles P-C4'-P energy: -44.338 tors. eta vs tors. theta energy: -122.497 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: 3 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1266.443039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.443039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.443039 (E_RNA) where: Base-Base interactions energy: -860.230 where: short stacking energy: -379.423 Base-Backbone interact. energy: -2.060 local terms energy: -404.153175 where: bonds (distance) C4'-P energy: -86.565 bonds (distance) P-C4' energy: -79.271 flat angles C4'-P-C4' energy: -88.732 flat angles P-C4'-P energy: -45.282 tors. eta vs tors. theta energy: -104.303 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: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1208.083376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.083376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.083376 (E_RNA) where: Base-Base interactions energy: -810.110 where: short stacking energy: -362.020 Base-Backbone interact. energy: -0.517 local terms energy: -397.456738 where: bonds (distance) C4'-P energy: -75.347 bonds (distance) P-C4' energy: -75.415 flat angles C4'-P-C4' energy: -84.299 flat angles P-C4'-P energy: -60.467 tors. eta vs tors. theta energy: -101.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -856.621646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.621646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.621646 (E_RNA) where: Base-Base interactions energy: -529.186 where: short stacking energy: -247.690 Base-Backbone interact. energy: -1.337 local terms energy: -326.098810 where: bonds (distance) C4'-P energy: -84.237 bonds (distance) P-C4' energy: -85.304 flat angles C4'-P-C4' energy: -68.449 flat angles P-C4'-P energy: -41.959 tors. eta vs tors. theta energy: -46.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -701.577080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.577080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.577080 (E_RNA) where: Base-Base interactions energy: -400.340 where: short stacking energy: -210.736 Base-Backbone interact. energy: -0.673 local terms energy: -300.563989 where: bonds (distance) C4'-P energy: -70.742 bonds (distance) P-C4' energy: -77.436 flat angles C4'-P-C4' energy: -71.730 flat angles P-C4'-P energy: -44.279 tors. eta vs tors. theta energy: -36.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -614.245177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.245177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.245177 (E_RNA) where: Base-Base interactions energy: -326.712 where: short stacking energy: -174.380 Base-Backbone interact. energy: 1.149 local terms energy: -288.682358 where: bonds (distance) C4'-P energy: -75.378 bonds (distance) P-C4' energy: -75.935 flat angles C4'-P-C4' energy: -76.815 flat angles P-C4'-P energy: -50.520 tors. eta vs tors. theta energy: -10.034 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: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -507.296730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.296730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.296730 (E_RNA) where: Base-Base interactions energy: -269.541 where: short stacking energy: -139.454 Base-Backbone interact. energy: 7.661 local terms energy: -245.417102 where: bonds (distance) C4'-P energy: -75.288 bonds (distance) P-C4' energy: -76.194 flat angles C4'-P-C4' energy: -66.104 flat angles P-C4'-P energy: -36.699 tors. eta vs tors. theta energy: 8.868 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: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1602.448305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.448305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.448305 (E_RNA) where: Base-Base interactions energy: -1100.318 where: short stacking energy: -451.422 Base-Backbone interact. energy: -0.711 local terms energy: -501.418448 where: bonds (distance) C4'-P energy: -95.122 bonds (distance) P-C4' energy: -90.013 flat angles C4'-P-C4' energy: -103.048 flat angles P-C4'-P energy: -72.066 tors. eta vs tors. theta energy: -141.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1507.292703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.292703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.292703 (E_RNA) where: Base-Base interactions energy: -1018.835 where: short stacking energy: -442.486 Base-Backbone interact. energy: -0.701 local terms energy: -487.756176 where: bonds (distance) C4'-P energy: -78.544 bonds (distance) P-C4' energy: -85.034 flat angles C4'-P-C4' energy: -105.929 flat angles P-C4'-P energy: -73.589 tors. eta vs tors. theta energy: -144.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1487.274343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.274343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.274343 (E_RNA) where: Base-Base interactions energy: -1003.627 where: short stacking energy: -408.988 Base-Backbone interact. energy: -0.918 local terms energy: -482.729882 where: bonds (distance) C4'-P energy: -76.104 bonds (distance) P-C4' energy: -101.989 flat angles C4'-P-C4' energy: -97.583 flat angles P-C4'-P energy: -76.713 tors. eta vs tors. theta energy: -130.341 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: 8 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1428.596227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.596227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.596227 (E_RNA) where: Base-Base interactions energy: -983.216 where: short stacking energy: -399.657 Base-Backbone interact. energy: -1.690 local terms energy: -443.689869 where: bonds (distance) C4'-P energy: -84.739 bonds (distance) P-C4' energy: -75.862 flat angles C4'-P-C4' energy: -100.100 flat angles P-C4'-P energy: -70.397 tors. eta vs tors. theta energy: -112.591 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: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1227.686772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.686772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.686772 (E_RNA) where: Base-Base interactions energy: -843.637 where: short stacking energy: -355.221 Base-Backbone interact. energy: 2.213 local terms energy: -386.262529 where: bonds (distance) C4'-P energy: -69.453 bonds (distance) P-C4' energy: -72.659 flat angles C4'-P-C4' energy: -89.931 flat angles P-C4'-P energy: -55.334 tors. eta vs tors. theta energy: -98.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1154.674706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.674706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.674706 (E_RNA) where: Base-Base interactions energy: -770.711 where: short stacking energy: -339.630 Base-Backbone interact. energy: -1.261 local terms energy: -382.703093 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -80.840 flat angles C4'-P-C4' energy: -83.101 flat angles P-C4'-P energy: -40.590 tors. eta vs tors. theta energy: -97.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -853.629143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.629143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.629143 (E_RNA) where: Base-Base interactions energy: -525.691 where: short stacking energy: -249.234 Base-Backbone interact. energy: -1.674 local terms energy: -326.264168 where: bonds (distance) C4'-P energy: -78.419 bonds (distance) P-C4' energy: -77.413 flat angles C4'-P-C4' energy: -73.129 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -46.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -735.709897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.709897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.709897 (E_RNA) where: Base-Base interactions energy: -433.490 where: short stacking energy: -208.228 Base-Backbone interact. energy: -1.190 local terms energy: -301.030253 where: bonds (distance) C4'-P energy: -79.545 bonds (distance) P-C4' energy: -77.346 flat angles C4'-P-C4' energy: -72.852 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -24.228 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: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -531.589214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.589214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.589214 (E_RNA) where: Base-Base interactions energy: -241.872 where: short stacking energy: -147.255 Base-Backbone interact. energy: -1.978 local terms energy: -287.738602 where: bonds (distance) C4'-P energy: -73.022 bonds (distance) P-C4' energy: -88.039 flat angles C4'-P-C4' energy: -56.631 flat angles P-C4'-P energy: -50.386 tors. eta vs tors. theta energy: -19.660 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: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -552.693812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.693812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.693812 (E_RNA) where: Base-Base interactions energy: -286.290 where: short stacking energy: -126.837 Base-Backbone interact. energy: -0.966 local terms energy: -265.437537 where: bonds (distance) C4'-P energy: -76.471 bonds (distance) P-C4' energy: -84.569 flat angles C4'-P-C4' energy: -76.638 flat angles P-C4'-P energy: -38.271 tors. eta vs tors. theta energy: 10.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1592.291597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.291597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.291597 (E_RNA) where: Base-Base interactions energy: -1110.367 where: short stacking energy: -467.799 Base-Backbone interact. energy: -0.155 local terms energy: -481.769976 where: bonds (distance) C4'-P energy: -82.639 bonds (distance) P-C4' energy: -89.205 flat angles C4'-P-C4' energy: -101.560 flat angles P-C4'-P energy: -71.997 tors. eta vs tors. theta energy: -136.369 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: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1532.935279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.935279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.935279 (E_RNA) where: Base-Base interactions energy: -1052.108 where: short stacking energy: -448.932 Base-Backbone interact. energy: -0.643 local terms energy: -480.184154 where: bonds (distance) C4'-P energy: -79.668 bonds (distance) P-C4' energy: -90.574 flat angles C4'-P-C4' energy: -103.147 flat angles P-C4'-P energy: -61.552 tors. eta vs tors. theta energy: -145.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1452.340242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.340242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.340242 (E_RNA) where: Base-Base interactions energy: -990.981 where: short stacking energy: -398.530 Base-Backbone interact. energy: -1.798 local terms energy: -459.561152 where: bonds (distance) C4'-P energy: -91.492 bonds (distance) P-C4' energy: -78.073 flat angles C4'-P-C4' energy: -89.951 flat angles P-C4'-P energy: -64.626 tors. eta vs tors. theta energy: -135.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1434.998298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.998298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.998298 (E_RNA) where: Base-Base interactions energy: -978.714 where: short stacking energy: -410.594 Base-Backbone interact. energy: -1.754 local terms energy: -454.530338 where: bonds (distance) C4'-P energy: -89.784 bonds (distance) P-C4' energy: -83.913 flat angles C4'-P-C4' energy: -93.819 flat angles P-C4'-P energy: -69.864 tors. eta vs tors. theta energy: -117.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1267.334173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.334173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.334173 (E_RNA) where: Base-Base interactions energy: -847.423 where: short stacking energy: -366.052 Base-Backbone interact. energy: -3.560 local terms energy: -416.351305 where: bonds (distance) C4'-P energy: -75.707 bonds (distance) P-C4' energy: -82.693 flat angles C4'-P-C4' energy: -96.834 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -105.533 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: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1128.264760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.264760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.264760 (E_RNA) where: Base-Base interactions energy: -732.527 where: short stacking energy: -320.602 Base-Backbone interact. energy: -1.088 local terms energy: -394.649289 where: bonds (distance) C4'-P energy: -87.751 bonds (distance) P-C4' energy: -79.363 flat angles C4'-P-C4' energy: -77.871 flat angles P-C4'-P energy: -60.004 tors. eta vs tors. theta energy: -89.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -906.088356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.088356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.088356 (E_RNA) where: Base-Base interactions energy: -559.429 where: short stacking energy: -257.110 Base-Backbone interact. energy: -0.712 local terms energy: -345.947076 where: bonds (distance) C4'-P energy: -73.155 bonds (distance) P-C4' energy: -69.164 flat angles C4'-P-C4' energy: -91.936 flat angles P-C4'-P energy: -56.281 tors. eta vs tors. theta energy: -55.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -702.103969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.103969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.103969 (E_RNA) where: Base-Base interactions energy: -393.495 where: short stacking energy: -200.750 Base-Backbone interact. energy: -0.938 local terms energy: -307.671521 where: bonds (distance) C4'-P energy: -73.397 bonds (distance) P-C4' energy: -71.193 flat angles C4'-P-C4' energy: -79.373 flat angles P-C4'-P energy: -51.008 tors. eta vs tors. theta energy: -32.701 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: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -557.568582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.568582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.568582 (E_RNA) where: Base-Base interactions energy: -270.856 where: short stacking energy: -157.555 Base-Backbone interact. energy: 0.055 local terms energy: -286.767780 where: bonds (distance) C4'-P energy: -70.595 bonds (distance) P-C4' energy: -81.596 flat angles C4'-P-C4' energy: -66.930 flat angles P-C4'-P energy: -54.480 tors. eta vs tors. theta energy: -13.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -533.685168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.685168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.685168 (E_RNA) where: Base-Base interactions energy: -267.892 where: short stacking energy: -134.402 Base-Backbone interact. energy: -1.402 local terms energy: -264.391653 where: bonds (distance) C4'-P energy: -84.399 bonds (distance) P-C4' energy: -78.980 flat angles C4'-P-C4' energy: -61.864 flat angles P-C4'-P energy: -45.086 tors. eta vs tors. theta energy: 5.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1632.945713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.945713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.945713 (E_RNA) where: Base-Base interactions energy: -1127.578 where: short stacking energy: -460.432 Base-Backbone interact. energy: -4.204 local terms energy: -501.164381 where: bonds (distance) C4'-P energy: -86.564 bonds (distance) P-C4' energy: -100.190 flat angles C4'-P-C4' energy: -107.196 flat angles P-C4'-P energy: -67.877 tors. eta vs tors. theta energy: -139.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1535.358031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.358031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.358031 (E_RNA) where: Base-Base interactions energy: -1032.558 where: short stacking energy: -450.491 Base-Backbone interact. energy: -0.739 local terms energy: -502.061703 where: bonds (distance) C4'-P energy: -80.660 bonds (distance) P-C4' energy: -92.380 flat angles C4'-P-C4' energy: -100.479 flat angles P-C4'-P energy: -73.254 tors. eta vs tors. theta energy: -155.288 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: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1480.468781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.468781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.468781 (E_RNA) where: Base-Base interactions energy: -996.233 where: short stacking energy: -434.999 Base-Backbone interact. energy: -2.062 local terms energy: -482.173289 where: bonds (distance) C4'-P energy: -88.475 bonds (distance) P-C4' energy: -90.897 flat angles C4'-P-C4' energy: -107.923 flat angles P-C4'-P energy: -64.568 tors. eta vs tors. theta energy: -130.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1456.023587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.023587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.023587 (E_RNA) where: Base-Base interactions energy: -991.464 where: short stacking energy: -410.030 Base-Backbone interact. energy: -3.816 local terms energy: -460.742894 where: bonds (distance) C4'-P energy: -88.249 bonds (distance) P-C4' energy: -79.858 flat angles C4'-P-C4' energy: -105.996 flat angles P-C4'-P energy: -62.804 tors. eta vs tors. theta energy: -123.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1302.855103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.855103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.855103 (E_RNA) where: Base-Base interactions energy: -883.103 where: short stacking energy: -365.192 Base-Backbone interact. energy: -1.320 local terms energy: -418.432265 where: bonds (distance) C4'-P energy: -76.253 bonds (distance) P-C4' energy: -81.727 flat angles C4'-P-C4' energy: -92.331 flat angles P-C4'-P energy: -66.237 tors. eta vs tors. theta energy: -101.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1110.684941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.684941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.684941 (E_RNA) where: Base-Base interactions energy: -703.087 where: short stacking energy: -338.609 Base-Backbone interact. energy: -0.258 local terms energy: -407.340088 where: bonds (distance) C4'-P energy: -76.268 bonds (distance) P-C4' energy: -90.253 flat angles C4'-P-C4' energy: -91.795 flat angles P-C4'-P energy: -57.423 tors. eta vs tors. theta energy: -91.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -875.957501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.957501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.957501 (E_RNA) where: Base-Base interactions energy: -525.080 where: short stacking energy: -237.472 Base-Backbone interact. energy: 0.157 local terms energy: -351.035099 where: bonds (distance) C4'-P energy: -69.675 bonds (distance) P-C4' energy: -88.266 flat angles C4'-P-C4' energy: -83.607 flat angles P-C4'-P energy: -56.326 tors. eta vs tors. theta energy: -53.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -740.130469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.130469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.130469 (E_RNA) where: Base-Base interactions energy: -446.945 where: short stacking energy: -216.936 Base-Backbone interact. energy: 3.874 local terms energy: -297.059755 where: bonds (distance) C4'-P energy: -72.426 bonds (distance) P-C4' energy: -83.462 flat angles C4'-P-C4' energy: -70.102 flat angles P-C4'-P energy: -36.219 tors. eta vs tors. theta energy: -34.851 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: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -587.270551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.270551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.270551 (E_RNA) where: Base-Base interactions energy: -318.143 where: short stacking energy: -174.573 Base-Backbone interact. energy: 0.939 local terms energy: -270.066687 where: bonds (distance) C4'-P energy: -65.217 bonds (distance) P-C4' energy: -67.549 flat angles C4'-P-C4' energy: -73.795 flat angles P-C4'-P energy: -57.705 tors. eta vs tors. theta energy: -5.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -495.058753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.058753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.058753 (E_RNA) where: Base-Base interactions energy: -262.306 where: short stacking energy: -139.512 Base-Backbone interact. energy: -1.509 local terms energy: -231.244099 where: bonds (distance) C4'-P energy: -58.828 bonds (distance) P-C4' energy: -75.122 flat angles C4'-P-C4' energy: -61.479 flat angles P-C4'-P energy: -37.795 tors. eta vs tors. theta energy: 1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1609.655807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.655807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.655807 (E_RNA) where: Base-Base interactions energy: -1119.195 where: short stacking energy: -460.149 Base-Backbone interact. energy: 0.974 local terms energy: -491.435015 where: bonds (distance) C4'-P energy: -93.741 bonds (distance) P-C4' energy: -90.573 flat angles C4'-P-C4' energy: -101.092 flat angles P-C4'-P energy: -68.008 tors. eta vs tors. theta energy: -138.021 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: 5 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1524.706693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.706693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.706693 (E_RNA) where: Base-Base interactions energy: -1029.102 where: short stacking energy: -458.916 Base-Backbone interact. energy: -0.159 local terms energy: -495.445590 where: bonds (distance) C4'-P energy: -92.751 bonds (distance) P-C4' energy: -84.565 flat angles C4'-P-C4' energy: -101.902 flat angles P-C4'-P energy: -68.284 tors. eta vs tors. theta energy: -147.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1454.443405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.443405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.443405 (E_RNA) where: Base-Base interactions energy: -989.212 where: short stacking energy: -410.791 Base-Backbone interact. energy: -1.493 local terms energy: -463.738606 where: bonds (distance) C4'-P energy: -83.142 bonds (distance) P-C4' energy: -87.500 flat angles C4'-P-C4' energy: -96.504 flat angles P-C4'-P energy: -71.057 tors. eta vs tors. theta energy: -125.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1435.161027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.161027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.161027 (E_RNA) where: Base-Base interactions energy: -985.546 where: short stacking energy: -407.338 Base-Backbone interact. energy: -0.106 local terms energy: -449.508818 where: bonds (distance) C4'-P energy: -83.403 bonds (distance) P-C4' energy: -90.164 flat angles C4'-P-C4' energy: -95.938 flat angles P-C4'-P energy: -66.472 tors. eta vs tors. theta energy: -113.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1318.606873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.606873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.606873 (E_RNA) where: Base-Base interactions energy: -889.706 where: short stacking energy: -367.440 Base-Backbone interact. energy: -1.604 local terms energy: -427.296958 where: bonds (distance) C4'-P energy: -84.272 bonds (distance) P-C4' energy: -88.362 flat angles C4'-P-C4' energy: -89.261 flat angles P-C4'-P energy: -52.473 tors. eta vs tors. theta energy: -112.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1110.133333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.133333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.133333 (E_RNA) where: Base-Base interactions energy: -707.667 where: short stacking energy: -332.978 Base-Backbone interact. energy: -0.445 local terms energy: -402.021285 where: bonds (distance) C4'-P energy: -76.845 bonds (distance) P-C4' energy: -85.558 flat angles C4'-P-C4' energy: -88.300 flat angles P-C4'-P energy: -54.458 tors. eta vs tors. theta energy: -96.859 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: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -882.050062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.050062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.050062 (E_RNA) where: Base-Base interactions energy: -527.627 where: short stacking energy: -247.195 Base-Backbone interact. energy: 0.130 local terms energy: -354.552722 where: bonds (distance) C4'-P energy: -71.771 bonds (distance) P-C4' energy: -87.188 flat angles C4'-P-C4' energy: -83.848 flat angles P-C4'-P energy: -53.535 tors. eta vs tors. theta energy: -58.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -812.998601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.998601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.998601 (E_RNA) where: Base-Base interactions energy: -483.803 where: short stacking energy: -231.238 Base-Backbone interact. energy: 2.297 local terms energy: -331.492499 where: bonds (distance) C4'-P energy: -68.577 bonds (distance) P-C4' energy: -90.318 flat angles C4'-P-C4' energy: -84.029 flat angles P-C4'-P energy: -51.085 tors. eta vs tors. theta energy: -37.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -543.396613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.396613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.396613 (E_RNA) where: Base-Base interactions energy: -295.814 where: short stacking energy: -137.712 Base-Backbone interact. energy: -2.595 local terms energy: -244.987245 where: bonds (distance) C4'-P energy: -71.270 bonds (distance) P-C4' energy: -69.838 flat angles C4'-P-C4' energy: -63.408 flat angles P-C4'-P energy: -47.141 tors. eta vs tors. theta energy: 6.670 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: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -514.525844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.525844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.525844 (E_RNA) where: Base-Base interactions energy: -266.221 where: short stacking energy: -144.192 Base-Backbone interact. energy: 1.674 local terms energy: -249.978696 where: bonds (distance) C4'-P energy: -73.927 bonds (distance) P-C4' energy: -65.852 flat angles C4'-P-C4' energy: -69.833 flat angles P-C4'-P energy: -41.793 tors. eta vs tors. theta energy: 1.426 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: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1622.035364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.035364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.035364 (E_RNA) where: Base-Base interactions energy: -1126.043 where: short stacking energy: -468.539 Base-Backbone interact. energy: -4.032 local terms energy: -491.961274 where: bonds (distance) C4'-P energy: -80.415 bonds (distance) P-C4' energy: -82.637 flat angles C4'-P-C4' energy: -111.756 flat angles P-C4'-P energy: -77.290 tors. eta vs tors. theta energy: -139.864 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: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1557.282394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.282394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.282394 (E_RNA) where: Base-Base interactions energy: -1072.458 where: short stacking energy: -468.477 Base-Backbone interact. energy: 1.575 local terms energy: -486.399461 where: bonds (distance) C4'-P energy: -76.729 bonds (distance) P-C4' energy: -92.455 flat angles C4'-P-C4' energy: -102.482 flat angles P-C4'-P energy: -61.280 tors. eta vs tors. theta energy: -153.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1479.076242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.076242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.076242 (E_RNA) where: Base-Base interactions energy: -1016.539 where: short stacking energy: -431.400 Base-Backbone interact. energy: -2.834 local terms energy: -459.703288 where: bonds (distance) C4'-P energy: -80.159 bonds (distance) P-C4' energy: -87.006 flat angles C4'-P-C4' energy: -98.373 flat angles P-C4'-P energy: -70.262 tors. eta vs tors. theta energy: -123.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1443.360538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.360538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.360538 (E_RNA) where: Base-Base interactions energy: -972.039 where: short stacking energy: -398.567 Base-Backbone interact. energy: -1.310 local terms energy: -470.011814 where: bonds (distance) C4'-P energy: -91.565 bonds (distance) P-C4' energy: -96.153 flat angles C4'-P-C4' energy: -97.306 flat angles P-C4'-P energy: -72.029 tors. eta vs tors. theta energy: -112.958 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: 3 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1343.382448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.382448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.382448 (E_RNA) where: Base-Base interactions energy: -912.389 where: short stacking energy: -359.246 Base-Backbone interact. energy: -3.057 local terms energy: -427.936173 where: bonds (distance) C4'-P energy: -77.759 bonds (distance) P-C4' energy: -82.173 flat angles C4'-P-C4' energy: -94.284 flat angles P-C4'-P energy: -66.047 tors. eta vs tors. theta energy: -107.673 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: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1102.379700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.379700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.379700 (E_RNA) where: Base-Base interactions energy: -729.037 where: short stacking energy: -327.346 Base-Backbone interact. energy: 4.762 local terms energy: -378.104555 where: bonds (distance) C4'-P energy: -84.098 bonds (distance) P-C4' energy: -83.146 flat angles C4'-P-C4' energy: -76.800 flat angles P-C4'-P energy: -45.556 tors. eta vs tors. theta energy: -88.505 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: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -896.805048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.805048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.805048 (E_RNA) where: Base-Base interactions energy: -550.914 where: short stacking energy: -262.313 Base-Backbone interact. energy: 2.262 local terms energy: -348.153600 where: bonds (distance) C4'-P energy: -86.693 bonds (distance) P-C4' energy: -76.723 flat angles C4'-P-C4' energy: -85.387 flat angles P-C4'-P energy: -39.890 tors. eta vs tors. theta energy: -59.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -831.332488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.332488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.332488 (E_RNA) where: Base-Base interactions energy: -507.496 where: short stacking energy: -244.185 Base-Backbone interact. energy: 1.699 local terms energy: -325.535169 where: bonds (distance) C4'-P energy: -70.625 bonds (distance) P-C4' energy: -65.239 flat angles C4'-P-C4' energy: -80.948 flat angles P-C4'-P energy: -59.360 tors. eta vs tors. theta energy: -49.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -563.323277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.323277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.323277 (E_RNA) where: Base-Base interactions energy: -296.071 where: short stacking energy: -162.694 Base-Backbone interact. energy: 0.313 local terms energy: -267.564839 where: bonds (distance) C4'-P energy: -76.090 bonds (distance) P-C4' energy: -74.726 flat angles C4'-P-C4' energy: -71.291 flat angles P-C4'-P energy: -33.828 tors. eta vs tors. theta energy: -11.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -524.568725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.568725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.568725 (E_RNA) where: Base-Base interactions energy: -270.206 where: short stacking energy: -158.447 Base-Backbone interact. energy: 2.510 local terms energy: -256.872414 where: bonds (distance) C4'-P energy: -76.783 bonds (distance) P-C4' energy: -88.028 flat angles C4'-P-C4' energy: -56.150 flat angles P-C4'-P energy: -46.964 tors. eta vs tors. theta energy: 11.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1631.881853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.881853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.881853 (E_RNA) where: Base-Base interactions energy: -1133.517 where: short stacking energy: -461.825 Base-Backbone interact. energy: -2.507 local terms energy: -495.858134 where: bonds (distance) C4'-P energy: -97.833 bonds (distance) P-C4' energy: -84.684 flat angles C4'-P-C4' energy: -99.805 flat angles P-C4'-P energy: -71.161 tors. eta vs tors. theta energy: -142.375 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: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1567.439081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.439081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.439081 (E_RNA) where: Base-Base interactions energy: -1045.746 where: short stacking energy: -455.519 Base-Backbone interact. energy: -0.782 local terms energy: -520.911682 where: bonds (distance) C4'-P energy: -87.785 bonds (distance) P-C4' energy: -100.706 flat angles C4'-P-C4' energy: -104.828 flat angles P-C4'-P energy: -77.204 tors. eta vs tors. theta energy: -150.389 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: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1478.258110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.258110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.258110 (E_RNA) where: Base-Base interactions energy: -1013.841 where: short stacking energy: -430.439 Base-Backbone interact. energy: -1.033 local terms energy: -463.384002 where: bonds (distance) C4'-P energy: -80.172 bonds (distance) P-C4' energy: -90.064 flat angles C4'-P-C4' energy: -105.619 flat angles P-C4'-P energy: -52.333 tors. eta vs tors. theta energy: -135.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1448.225373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.225373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.225373 (E_RNA) where: Base-Base interactions energy: -993.924 where: short stacking energy: -413.292 Base-Backbone interact. energy: -0.239 local terms energy: -454.062411 where: bonds (distance) C4'-P energy: -78.186 bonds (distance) P-C4' energy: -89.878 flat angles C4'-P-C4' energy: -102.283 flat angles P-C4'-P energy: -63.652 tors. eta vs tors. theta energy: -120.064 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: 5, replica: 3 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1318.205249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.205249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.205249 (E_RNA) where: Base-Base interactions energy: -910.656 where: short stacking energy: -389.411 Base-Backbone interact. energy: -1.036 local terms energy: -406.513357 where: bonds (distance) C4'-P energy: -74.982 bonds (distance) P-C4' energy: -84.889 flat angles C4'-P-C4' energy: -80.483 flat angles P-C4'-P energy: -59.668 tors. eta vs tors. theta energy: -106.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1139.755540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.755540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.755540 (E_RNA) where: Base-Base interactions energy: -762.093 where: short stacking energy: -341.101 Base-Backbone interact. energy: -0.146 local terms energy: -377.516827 where: bonds (distance) C4'-P energy: -87.248 bonds (distance) P-C4' energy: -67.318 flat angles C4'-P-C4' energy: -88.652 flat angles P-C4'-P energy: -50.495 tors. eta vs tors. theta energy: -83.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -877.134999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.134999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.134999 (E_RNA) where: Base-Base interactions energy: -546.325 where: short stacking energy: -280.664 Base-Backbone interact. energy: 0.803 local terms energy: -331.612547 where: bonds (distance) C4'-P energy: -64.110 bonds (distance) P-C4' energy: -73.224 flat angles C4'-P-C4' energy: -75.512 flat angles P-C4'-P energy: -61.189 tors. eta vs tors. theta energy: -57.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -854.241284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.241284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.241284 (E_RNA) where: Base-Base interactions energy: -513.851 where: short stacking energy: -238.766 Base-Backbone interact. energy: -0.031 local terms energy: -340.359283 where: bonds (distance) C4'-P energy: -65.523 bonds (distance) P-C4' energy: -80.160 flat angles C4'-P-C4' energy: -87.090 flat angles P-C4'-P energy: -56.851 tors. eta vs tors. theta energy: -50.734 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: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -559.422393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.422393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.422393 (E_RNA) where: Base-Base interactions energy: -286.684 where: short stacking energy: -161.462 Base-Backbone interact. energy: -2.439 local terms energy: -270.298929 where: bonds (distance) C4'-P energy: -75.260 bonds (distance) P-C4' energy: -75.671 flat angles C4'-P-C4' energy: -76.349 flat angles P-C4'-P energy: -37.482 tors. eta vs tors. theta energy: -5.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -520.290440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.290440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.290440 (E_RNA) where: Base-Base interactions energy: -264.682 where: short stacking energy: -136.738 Base-Backbone interact. energy: -0.344 local terms energy: -255.265021 where: bonds (distance) C4'-P energy: -72.173 bonds (distance) P-C4' energy: -75.299 flat angles C4'-P-C4' energy: -54.790 flat angles P-C4'-P energy: -40.411 tors. eta vs tors. theta energy: -12.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1621.320893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.320893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.320893 (E_RNA) where: Base-Base interactions energy: -1125.753 where: short stacking energy: -463.713 Base-Backbone interact. energy: -4.572 local terms energy: -490.994985 where: bonds (distance) C4'-P energy: -89.571 bonds (distance) P-C4' energy: -97.346 flat angles C4'-P-C4' energy: -108.775 flat angles P-C4'-P energy: -56.131 tors. eta vs tors. theta energy: -139.172 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: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1557.274573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.274573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.274573 (E_RNA) where: Base-Base interactions energy: -1062.807 where: short stacking energy: -471.481 Base-Backbone interact. energy: -1.560 local terms energy: -492.907289 where: bonds (distance) C4'-P energy: -86.656 bonds (distance) P-C4' energy: -84.329 flat angles C4'-P-C4' energy: -102.473 flat angles P-C4'-P energy: -74.762 tors. eta vs tors. theta energy: -144.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1466.634014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.634014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.634014 (E_RNA) where: Base-Base interactions energy: -1031.922 where: short stacking energy: -410.228 Base-Backbone interact. energy: -3.239 local terms energy: -431.472581 where: bonds (distance) C4'-P energy: -78.213 bonds (distance) P-C4' energy: -82.635 flat angles C4'-P-C4' energy: -97.854 flat angles P-C4'-P energy: -65.685 tors. eta vs tors. theta energy: -107.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1426.933519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.933519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.933519 (E_RNA) where: Base-Base interactions energy: -963.316 where: short stacking energy: -393.194 Base-Backbone interact. energy: -1.356 local terms energy: -462.261072 where: bonds (distance) C4'-P energy: -93.424 bonds (distance) P-C4' energy: -82.401 flat angles C4'-P-C4' energy: -101.887 flat angles P-C4'-P energy: -65.205 tors. eta vs tors. theta energy: -119.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1322.172526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.172526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.172526 (E_RNA) where: Base-Base interactions energy: -900.139 where: short stacking energy: -382.250 Base-Backbone interact. energy: 1.372 local terms energy: -423.405366 where: bonds (distance) C4'-P energy: -86.953 bonds (distance) P-C4' energy: -75.028 flat angles C4'-P-C4' energy: -87.669 flat angles P-C4'-P energy: -52.912 tors. eta vs tors. theta energy: -120.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1113.207918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.207918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.207918 (E_RNA) where: Base-Base interactions energy: -704.675 where: short stacking energy: -327.839 Base-Backbone interact. energy: -0.439 local terms energy: -408.094079 where: bonds (distance) C4'-P energy: -84.482 bonds (distance) P-C4' energy: -88.715 flat angles C4'-P-C4' energy: -90.586 flat angles P-C4'-P energy: -61.504 tors. eta vs tors. theta energy: -82.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -906.761090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.761090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.761090 (E_RNA) where: Base-Base interactions energy: -562.812 where: short stacking energy: -262.332 Base-Backbone interact. energy: -0.661 local terms energy: -343.288360 where: bonds (distance) C4'-P energy: -82.426 bonds (distance) P-C4' energy: -93.427 flat angles C4'-P-C4' energy: -64.299 flat angles P-C4'-P energy: -43.913 tors. eta vs tors. theta energy: -59.225 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: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -843.896830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.896830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.896830 (E_RNA) where: Base-Base interactions energy: -526.641 where: short stacking energy: -240.273 Base-Backbone interact. energy: -0.178 local terms energy: -317.077892 where: bonds (distance) C4'-P energy: -72.387 bonds (distance) P-C4' energy: -83.744 flat angles C4'-P-C4' energy: -65.768 flat angles P-C4'-P energy: -41.923 tors. eta vs tors. theta energy: -53.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -592.462105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.462105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.462105 (E_RNA) where: Base-Base interactions energy: -321.831 where: short stacking energy: -152.584 Base-Backbone interact. energy: -0.063 local terms energy: -270.568862 where: bonds (distance) C4'-P energy: -65.870 bonds (distance) P-C4' energy: -87.632 flat angles C4'-P-C4' energy: -72.547 flat angles P-C4'-P energy: -39.744 tors. eta vs tors. theta energy: -4.776 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: 9 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -556.120571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.120571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.120571 (E_RNA) where: Base-Base interactions energy: -292.908 where: short stacking energy: -164.419 Base-Backbone interact. energy: 1.976 local terms energy: -265.189002 where: bonds (distance) C4'-P energy: -84.814 bonds (distance) P-C4' energy: -75.794 flat angles C4'-P-C4' energy: -65.639 flat angles P-C4'-P energy: -29.896 tors. eta vs tors. theta energy: -9.046 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: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1608.779118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.779118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.779118 (E_RNA) where: Base-Base interactions energy: -1109.182 where: short stacking energy: -452.125 Base-Backbone interact. energy: -6.516 local terms energy: -493.081276 where: bonds (distance) C4'-P energy: -95.558 bonds (distance) P-C4' energy: -85.885 flat angles C4'-P-C4' energy: -108.583 flat angles P-C4'-P energy: -62.072 tors. eta vs tors. theta energy: -140.983 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: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1534.798080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.798080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.798080 (E_RNA) where: Base-Base interactions energy: -1043.960 where: short stacking energy: -443.522 Base-Backbone interact. energy: 2.443 local terms energy: -493.281202 where: bonds (distance) C4'-P energy: -81.917 bonds (distance) P-C4' energy: -95.232 flat angles C4'-P-C4' energy: -109.559 flat angles P-C4'-P energy: -67.827 tors. eta vs tors. theta energy: -138.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1465.183668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.183668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.183668 (E_RNA) where: Base-Base interactions energy: -1011.142 where: short stacking energy: -387.974 Base-Backbone interact. energy: -1.914 local terms energy: -452.126921 where: bonds (distance) C4'-P energy: -85.031 bonds (distance) P-C4' energy: -91.998 flat angles C4'-P-C4' energy: -91.484 flat angles P-C4'-P energy: -67.339 tors. eta vs tors. theta energy: -116.275 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: 4 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1425.874991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.874991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.874991 (E_RNA) where: Base-Base interactions energy: -977.279 where: short stacking energy: -399.336 Base-Backbone interact. energy: -0.698 local terms energy: -447.897956 where: bonds (distance) C4'-P energy: -87.027 bonds (distance) P-C4' energy: -88.416 flat angles C4'-P-C4' energy: -97.093 flat angles P-C4'-P energy: -56.950 tors. eta vs tors. theta energy: -118.412 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: 3 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1251.922003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.922003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.922003 (E_RNA) where: Base-Base interactions energy: -842.365 where: short stacking energy: -337.222 Base-Backbone interact. energy: -1.001 local terms energy: -408.555820 where: bonds (distance) C4'-P energy: -73.724 bonds (distance) P-C4' energy: -83.083 flat angles C4'-P-C4' energy: -90.629 flat angles P-C4'-P energy: -71.402 tors. eta vs tors. theta energy: -89.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1118.405765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.405765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.405765 (E_RNA) where: Base-Base interactions energy: -737.030 where: short stacking energy: -347.025 Base-Backbone interact. energy: -0.450 local terms energy: -380.926399 where: bonds (distance) C4'-P energy: -63.867 bonds (distance) P-C4' energy: -86.602 flat angles C4'-P-C4' energy: -77.358 flat angles P-C4'-P energy: -57.880 tors. eta vs tors. theta energy: -95.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -908.669283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.669283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.669283 (E_RNA) where: Base-Base interactions energy: -555.982 where: short stacking energy: -266.673 Base-Backbone interact. energy: -0.942 local terms energy: -351.745454 where: bonds (distance) C4'-P energy: -66.704 bonds (distance) P-C4' energy: -89.102 flat angles C4'-P-C4' energy: -74.300 flat angles P-C4'-P energy: -62.550 tors. eta vs tors. theta energy: -59.089 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: 1 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -859.899437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.899437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.899437 (E_RNA) where: Base-Base interactions energy: -528.193 where: short stacking energy: -266.352 Base-Backbone interact. energy: -0.778 local terms energy: -330.928345 where: bonds (distance) C4'-P energy: -79.551 bonds (distance) P-C4' energy: -80.271 flat angles C4'-P-C4' energy: -70.892 flat angles P-C4'-P energy: -44.301 tors. eta vs tors. theta energy: -55.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -570.788403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.788403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.788403 (E_RNA) where: Base-Base interactions energy: -294.142 where: short stacking energy: -170.118 Base-Backbone interact. energy: -1.298 local terms energy: -275.348211 where: bonds (distance) C4'-P energy: -73.764 bonds (distance) P-C4' energy: -83.918 flat angles C4'-P-C4' energy: -66.317 flat angles P-C4'-P energy: -48.414 tors. eta vs tors. theta energy: -2.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -516.664983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.664983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.664983 (E_RNA) where: Base-Base interactions energy: -270.347 where: short stacking energy: -141.227 Base-Backbone interact. energy: 0.253 local terms energy: -246.570980 where: bonds (distance) C4'-P energy: -77.542 bonds (distance) P-C4' energy: -54.792 flat angles C4'-P-C4' energy: -69.338 flat angles P-C4'-P energy: -35.972 tors. eta vs tors. theta energy: -8.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1601.042368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.042368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.042368 (E_RNA) where: Base-Base interactions energy: -1101.834 where: short stacking energy: -456.267 Base-Backbone interact. energy: -2.414 local terms energy: -496.794652 where: bonds (distance) C4'-P energy: -89.569 bonds (distance) P-C4' energy: -94.405 flat angles C4'-P-C4' energy: -108.917 flat angles P-C4'-P energy: -64.503 tors. eta vs tors. theta energy: -139.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1576.967205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.967205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.967205 (E_RNA) where: Base-Base interactions energy: -1064.272 where: short stacking energy: -472.221 Base-Backbone interact. energy: -1.063 local terms energy: -511.631623 where: bonds (distance) C4'-P energy: -84.191 bonds (distance) P-C4' energy: -91.776 flat angles C4'-P-C4' energy: -108.412 flat angles P-C4'-P energy: -72.390 tors. eta vs tors. theta energy: -154.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1457.475988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.475988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.475988 (E_RNA) where: Base-Base interactions energy: -992.111 where: short stacking energy: -419.333 Base-Backbone interact. energy: -1.281 local terms energy: -464.083514 where: bonds (distance) C4'-P energy: -86.659 bonds (distance) P-C4' energy: -81.772 flat angles C4'-P-C4' energy: -108.321 flat angles P-C4'-P energy: -63.749 tors. eta vs tors. theta energy: -123.583 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: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1442.914779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.914779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.914779 (E_RNA) where: Base-Base interactions energy: -1002.818 where: short stacking energy: -402.065 Base-Backbone interact. energy: -0.017 local terms energy: -440.079966 where: bonds (distance) C4'-P energy: -86.221 bonds (distance) P-C4' energy: -77.744 flat angles C4'-P-C4' energy: -94.920 flat angles P-C4'-P energy: -58.834 tors. eta vs tors. theta energy: -122.361 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: 5, replica: 3 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1343.667814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.667814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.667814 (E_RNA) where: Base-Base interactions energy: -916.771 where: short stacking energy: -386.889 Base-Backbone interact. energy: 1.247 local terms energy: -428.144257 where: bonds (distance) C4'-P energy: -87.276 bonds (distance) P-C4' energy: -71.389 flat angles C4'-P-C4' energy: -104.947 flat angles P-C4'-P energy: -57.776 tors. eta vs tors. theta energy: -106.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1111.159763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.159763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.159763 (E_RNA) where: Base-Base interactions energy: -718.443 where: short stacking energy: -326.945 Base-Backbone interact. energy: -2.377 local terms energy: -390.339635 where: bonds (distance) C4'-P energy: -77.084 bonds (distance) P-C4' energy: -66.307 flat angles C4'-P-C4' energy: -92.465 flat angles P-C4'-P energy: -61.007 tors. eta vs tors. theta energy: -93.477 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: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -881.098308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.098308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.098308 (E_RNA) where: Base-Base interactions energy: -539.474 where: short stacking energy: -258.727 Base-Backbone interact. energy: -0.030 local terms energy: -341.594021 where: bonds (distance) C4'-P energy: -79.569 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -77.263 flat angles P-C4'-P energy: -60.824 tors. eta vs tors. theta energy: -57.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -805.558931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.558931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.558931 (E_RNA) where: Base-Base interactions energy: -472.195 where: short stacking energy: -238.140 Base-Backbone interact. energy: 1.793 local terms energy: -335.156860 where: bonds (distance) C4'-P energy: -72.527 bonds (distance) P-C4' energy: -88.178 flat angles C4'-P-C4' energy: -76.811 flat angles P-C4'-P energy: -54.021 tors. eta vs tors. theta energy: -43.620 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: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -597.255604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.255604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.255604 (E_RNA) where: Base-Base interactions energy: -298.705 where: short stacking energy: -165.064 Base-Backbone interact. energy: -0.232 local terms energy: -298.318357 where: bonds (distance) C4'-P energy: -90.464 bonds (distance) P-C4' energy: -75.836 flat angles C4'-P-C4' energy: -74.063 flat angles P-C4'-P energy: -46.036 tors. eta vs tors. theta energy: -11.919 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: 10, replica: 9 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -515.052465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.052465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.052465 (E_RNA) where: Base-Base interactions energy: -251.146 where: short stacking energy: -149.682 Base-Backbone interact. energy: 2.099 local terms energy: -266.005811 where: bonds (distance) C4'-P energy: -97.425 bonds (distance) P-C4' energy: -68.133 flat angles C4'-P-C4' energy: -50.303 flat angles P-C4'-P energy: -38.458 tors. eta vs tors. theta energy: -11.685 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: 305 Temperature: 0.900000 Total energy: -1602.208863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.208863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.208863 (E_RNA) where: Base-Base interactions energy: -1112.592 where: short stacking energy: -444.940 Base-Backbone interact. energy: -7.404 local terms energy: -482.212747 where: bonds (distance) C4'-P energy: -80.663 bonds (distance) P-C4' energy: -100.669 flat angles C4'-P-C4' energy: -95.637 flat angles P-C4'-P energy: -72.588 tors. eta vs tors. theta energy: -132.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1526.340956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.340956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.340956 (E_RNA) where: Base-Base interactions energy: -1031.289 where: short stacking energy: -472.497 Base-Backbone interact. energy: -0.702 local terms energy: -494.349477 where: bonds (distance) C4'-P energy: -85.632 bonds (distance) P-C4' energy: -80.975 flat angles C4'-P-C4' energy: -106.509 flat angles P-C4'-P energy: -76.927 tors. eta vs tors. theta energy: -144.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1491.328482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.328482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.328482 (E_RNA) where: Base-Base interactions energy: -1033.277 where: short stacking energy: -412.590 Base-Backbone interact. energy: -2.605 local terms energy: -455.446751 where: bonds (distance) C4'-P energy: -81.878 bonds (distance) P-C4' energy: -79.606 flat angles C4'-P-C4' energy: -104.079 flat angles P-C4'-P energy: -71.234 tors. eta vs tors. theta energy: -118.649 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: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1438.383907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.383907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.383907 (E_RNA) where: Base-Base interactions energy: -987.974 where: short stacking energy: -394.470 Base-Backbone interact. energy: -0.183 local terms energy: -450.227521 where: bonds (distance) C4'-P energy: -74.206 bonds (distance) P-C4' energy: -85.646 flat angles C4'-P-C4' energy: -103.326 flat angles P-C4'-P energy: -67.814 tors. eta vs tors. theta energy: -119.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1323.995838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.995838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.995838 (E_RNA) where: Base-Base interactions energy: -908.482 where: short stacking energy: -379.633 Base-Backbone interact. energy: 1.803 local terms energy: -417.316781 where: bonds (distance) C4'-P energy: -59.119 bonds (distance) P-C4' energy: -95.262 flat angles C4'-P-C4' energy: -83.382 flat angles P-C4'-P energy: -71.007 tors. eta vs tors. theta energy: -108.547 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: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1136.605379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.605379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.605379 (E_RNA) where: Base-Base interactions energy: -730.038 where: short stacking energy: -335.887 Base-Backbone interact. energy: 0.449 local terms energy: -407.015861 where: bonds (distance) C4'-P energy: -93.482 bonds (distance) P-C4' energy: -73.748 flat angles C4'-P-C4' energy: -91.784 flat angles P-C4'-P energy: -49.883 tors. eta vs tors. theta energy: -98.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -937.786982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.786982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.786982 (E_RNA) where: Base-Base interactions energy: -577.490 where: short stacking energy: -257.371 Base-Backbone interact. energy: -1.880 local terms energy: -358.417514 where: bonds (distance) C4'-P energy: -84.439 bonds (distance) P-C4' energy: -78.239 flat angles C4'-P-C4' energy: -87.350 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -58.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -760.731772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.731772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.731772 (E_RNA) where: Base-Base interactions energy: -461.203 where: short stacking energy: -224.666 Base-Backbone interact. energy: 0.593 local terms energy: -300.122063 where: bonds (distance) C4'-P energy: -83.577 bonds (distance) P-C4' energy: -82.546 flat angles C4'-P-C4' energy: -72.040 flat angles P-C4'-P energy: -35.950 tors. eta vs tors. theta energy: -26.009 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: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -565.200330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.200330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.200330 (E_RNA) where: Base-Base interactions energy: -279.498 where: short stacking energy: -136.522 Base-Backbone interact. energy: -3.418 local terms energy: -282.283783 where: bonds (distance) C4'-P energy: -72.578 bonds (distance) P-C4' energy: -93.943 flat angles C4'-P-C4' energy: -72.696 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: 5.508 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: 10, replica: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -534.750236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.750236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.750236 (E_RNA) where: Base-Base interactions energy: -302.025 where: short stacking energy: -165.624 Base-Backbone interact. energy: 0.925 local terms energy: -233.650676 where: bonds (distance) C4'-P energy: -76.547 bonds (distance) P-C4' energy: -70.048 flat angles C4'-P-C4' energy: -58.486 flat angles P-C4'-P energy: -28.836 tors. eta vs tors. theta energy: 0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1597.913338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.913338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.913338 (E_RNA) where: Base-Base interactions energy: -1102.536 where: short stacking energy: -462.934 Base-Backbone interact. energy: 0.868 local terms energy: -496.245223 where: bonds (distance) C4'-P energy: -93.107 bonds (distance) P-C4' energy: -83.457 flat angles C4'-P-C4' energy: -109.296 flat angles P-C4'-P energy: -68.055 tors. eta vs tors. theta energy: -142.332 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: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1575.088281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.088281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.088281 (E_RNA) where: Base-Base interactions energy: -1060.934 where: short stacking energy: -456.257 Base-Backbone interact. energy: -3.184 local terms energy: -510.970355 where: bonds (distance) C4'-P energy: -91.784 bonds (distance) P-C4' energy: -103.305 flat angles C4'-P-C4' energy: -102.378 flat angles P-C4'-P energy: -69.792 tors. eta vs tors. theta energy: -143.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1498.745447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.745447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.745447 (E_RNA) where: Base-Base interactions energy: -1016.159 where: short stacking energy: -413.635 Base-Backbone interact. energy: -3.116 local terms energy: -479.469946 where: bonds (distance) C4'-P energy: -81.639 bonds (distance) P-C4' energy: -94.832 flat angles C4'-P-C4' energy: -101.768 flat angles P-C4'-P energy: -65.932 tors. eta vs tors. theta energy: -135.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1462.624890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.624890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.624890 (E_RNA) where: Base-Base interactions energy: -1018.524 where: short stacking energy: -400.754 Base-Backbone interact. energy: -1.260 local terms energy: -442.840829 where: bonds (distance) C4'-P energy: -83.460 bonds (distance) P-C4' energy: -76.465 flat angles C4'-P-C4' energy: -93.522 flat angles P-C4'-P energy: -77.208 tors. eta vs tors. theta energy: -112.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1333.424506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.424506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.424506 (E_RNA) where: Base-Base interactions energy: -911.538 where: short stacking energy: -386.277 Base-Backbone interact. energy: -0.985 local terms energy: -420.901107 where: bonds (distance) C4'-P energy: -76.143 bonds (distance) P-C4' energy: -79.317 flat angles C4'-P-C4' energy: -99.637 flat angles P-C4'-P energy: -52.496 tors. eta vs tors. theta energy: -113.309 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: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1135.142127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.142127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.142127 (E_RNA) where: Base-Base interactions energy: -723.689 where: short stacking energy: -340.854 Base-Backbone interact. energy: 1.110 local terms energy: -412.563161 where: bonds (distance) C4'-P energy: -77.627 bonds (distance) P-C4' energy: -91.831 flat angles C4'-P-C4' energy: -87.892 flat angles P-C4'-P energy: -52.831 tors. eta vs tors. theta energy: -102.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -938.324151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.324151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.324151 (E_RNA) where: Base-Base interactions energy: -589.026 where: short stacking energy: -299.834 Base-Backbone interact. energy: 0.233 local terms energy: -349.530964 where: bonds (distance) C4'-P energy: -60.785 bonds (distance) P-C4' energy: -79.248 flat angles C4'-P-C4' energy: -78.674 flat angles P-C4'-P energy: -59.223 tors. eta vs tors. theta energy: -71.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -865.599825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.599825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.599825 (E_RNA) where: Base-Base interactions energy: -525.212 where: short stacking energy: -265.650 Base-Backbone interact. energy: -0.466 local terms energy: -339.921954 where: bonds (distance) C4'-P energy: -73.106 bonds (distance) P-C4' energy: -75.201 flat angles C4'-P-C4' energy: -86.911 flat angles P-C4'-P energy: -52.096 tors. eta vs tors. theta energy: -52.609 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: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -543.707483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.707483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.707483 (E_RNA) where: Base-Base interactions energy: -297.976 where: short stacking energy: -167.567 Base-Backbone interact. energy: -1.015 local terms energy: -244.716388 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -79.397 flat angles C4'-P-C4' energy: -53.928 flat angles P-C4'-P energy: -41.549 tors. eta vs tors. theta energy: -12.118 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: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -525.403424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.403424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.403424 (E_RNA) where: Base-Base interactions energy: -255.743 where: short stacking energy: -138.972 Base-Backbone interact. energy: -0.752 local terms energy: -268.909115 where: bonds (distance) C4'-P energy: -62.174 bonds (distance) P-C4' energy: -85.735 flat angles C4'-P-C4' energy: -70.444 flat angles P-C4'-P energy: -47.617 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1623.338979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.338979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.338979 (E_RNA) where: Base-Base interactions energy: -1127.535 where: short stacking energy: -465.793 Base-Backbone interact. energy: -0.904 local terms energy: -494.899989 where: bonds (distance) C4'-P energy: -88.958 bonds (distance) P-C4' energy: -89.269 flat angles C4'-P-C4' energy: -94.484 flat angles P-C4'-P energy: -74.741 tors. eta vs tors. theta energy: -147.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1530.299109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.299109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.299109 (E_RNA) where: Base-Base interactions energy: -1053.645 where: short stacking energy: -456.640 Base-Backbone interact. energy: -2.487 local terms energy: -474.166759 where: bonds (distance) C4'-P energy: -84.948 bonds (distance) P-C4' energy: -77.999 flat angles C4'-P-C4' energy: -101.407 flat angles P-C4'-P energy: -65.308 tors. eta vs tors. theta energy: -144.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1505.359099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.359099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.359099 (E_RNA) where: Base-Base interactions energy: -1033.885 where: short stacking energy: -433.775 Base-Backbone interact. energy: -3.926 local terms energy: -467.547764 where: bonds (distance) C4'-P energy: -82.178 bonds (distance) P-C4' energy: -81.484 flat angles C4'-P-C4' energy: -101.374 flat angles P-C4'-P energy: -64.378 tors. eta vs tors. theta energy: -138.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1418.289578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.289578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.289578 (E_RNA) where: Base-Base interactions energy: -991.334 where: short stacking energy: -403.829 Base-Backbone interact. energy: -0.769 local terms energy: -426.185742 where: bonds (distance) C4'-P energy: -84.255 bonds (distance) P-C4' energy: -76.357 flat angles C4'-P-C4' energy: -89.190 flat angles P-C4'-P energy: -57.093 tors. eta vs tors. theta energy: -119.291 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: 3 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1327.991345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.991345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.991345 (E_RNA) where: Base-Base interactions energy: -891.570 where: short stacking energy: -374.606 Base-Backbone interact. energy: -3.528 local terms energy: -432.893488 where: bonds (distance) C4'-P energy: -85.922 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -93.020 flat angles P-C4'-P energy: -63.335 tors. eta vs tors. theta energy: -107.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1094.795092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.795092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.795092 (E_RNA) where: Base-Base interactions energy: -712.860 where: short stacking energy: -328.578 Base-Backbone interact. energy: 3.095 local terms energy: -385.030076 where: bonds (distance) C4'-P energy: -72.114 bonds (distance) P-C4' energy: -79.408 flat angles C4'-P-C4' energy: -88.611 flat angles P-C4'-P energy: -55.039 tors. eta vs tors. theta energy: -89.858 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: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -916.014000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.014000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.014000 (E_RNA) where: Base-Base interactions energy: -582.283 where: short stacking energy: -287.451 Base-Backbone interact. energy: 0.258 local terms energy: -333.989071 where: bonds (distance) C4'-P energy: -72.347 bonds (distance) P-C4' energy: -80.848 flat angles C4'-P-C4' energy: -70.693 flat angles P-C4'-P energy: -53.844 tors. eta vs tors. theta energy: -56.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -822.614138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.614138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.614138 (E_RNA) where: Base-Base interactions energy: -481.248 where: short stacking energy: -228.701 Base-Backbone interact. energy: -1.291 local terms energy: -340.075577 where: bonds (distance) C4'-P energy: -84.737 bonds (distance) P-C4' energy: -80.434 flat angles C4'-P-C4' energy: -83.942 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -43.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -547.712957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.712957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.712957 (E_RNA) where: Base-Base interactions energy: -289.954 where: short stacking energy: -159.585 Base-Backbone interact. energy: 1.451 local terms energy: -259.209899 where: bonds (distance) C4'-P energy: -66.606 bonds (distance) P-C4' energy: -73.259 flat angles C4'-P-C4' energy: -69.417 flat angles P-C4'-P energy: -48.121 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -540.299284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.299284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.299284 (E_RNA) where: Base-Base interactions energy: -284.143 where: short stacking energy: -140.851 Base-Backbone interact. energy: -2.391 local terms energy: -253.765159 where: bonds (distance) C4'-P energy: -75.539 bonds (distance) P-C4' energy: -66.953 flat angles C4'-P-C4' energy: -73.147 flat angles P-C4'-P energy: -39.780 tors. eta vs tors. theta energy: 1.653 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: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1601.390362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.390362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.390362 (E_RNA) where: Base-Base interactions energy: -1100.003 where: short stacking energy: -492.437 Base-Backbone interact. energy: -1.059 local terms energy: -500.328471 where: bonds (distance) C4'-P energy: -86.540 bonds (distance) P-C4' energy: -88.163 flat angles C4'-P-C4' energy: -104.111 flat angles P-C4'-P energy: -72.722 tors. eta vs tors. theta energy: -148.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1573.807993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.807993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.807993 (E_RNA) where: Base-Base interactions energy: -1106.132 where: short stacking energy: -444.638 Base-Backbone interact. energy: 0.798 local terms energy: -468.473288 where: bonds (distance) C4'-P energy: -77.682 bonds (distance) P-C4' energy: -96.387 flat angles C4'-P-C4' energy: -96.625 flat angles P-C4'-P energy: -62.238 tors. eta vs tors. theta energy: -135.542 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: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1448.757962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.757962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.757962 (E_RNA) where: Base-Base interactions energy: -993.216 where: short stacking energy: -410.384 Base-Backbone interact. energy: -1.939 local terms energy: -453.603178 where: bonds (distance) C4'-P energy: -91.620 bonds (distance) P-C4' energy: -91.022 flat angles C4'-P-C4' energy: -97.505 flat angles P-C4'-P energy: -59.688 tors. eta vs tors. theta energy: -113.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1429.466364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.466364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.466364 (E_RNA) where: Base-Base interactions energy: -992.336 where: short stacking energy: -426.687 Base-Backbone interact. energy: -0.831 local terms energy: -436.299011 where: bonds (distance) C4'-P energy: -70.931 bonds (distance) P-C4' energy: -81.314 flat angles C4'-P-C4' energy: -90.882 flat angles P-C4'-P energy: -63.434 tors. eta vs tors. theta energy: -129.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1307.256137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.256137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.256137 (E_RNA) where: Base-Base interactions energy: -881.685 where: short stacking energy: -386.005 Base-Backbone interact. energy: 0.780 local terms energy: -426.351144 where: bonds (distance) C4'-P energy: -75.726 bonds (distance) P-C4' energy: -77.234 flat angles C4'-P-C4' energy: -91.396 flat angles P-C4'-P energy: -69.047 tors. eta vs tors. theta energy: -112.948 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: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1177.444048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.444048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.444048 (E_RNA) where: Base-Base interactions energy: -759.667 where: short stacking energy: -349.697 Base-Backbone interact. energy: -0.673 local terms energy: -417.104190 where: bonds (distance) C4'-P energy: -72.358 bonds (distance) P-C4' energy: -94.597 flat angles C4'-P-C4' energy: -93.563 flat angles P-C4'-P energy: -62.872 tors. eta vs tors. theta energy: -93.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -939.835748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.835748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.835748 (E_RNA) where: Base-Base interactions energy: -569.318 where: short stacking energy: -281.713 Base-Backbone interact. energy: -1.489 local terms energy: -369.029098 where: bonds (distance) C4'-P energy: -66.331 bonds (distance) P-C4' energy: -80.610 flat angles C4'-P-C4' energy: -88.718 flat angles P-C4'-P energy: -57.805 tors. eta vs tors. theta energy: -75.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -809.882578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.882578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.882578 (E_RNA) where: Base-Base interactions energy: -503.038 where: short stacking energy: -239.798 Base-Backbone interact. energy: -1.275 local terms energy: -305.569143 where: bonds (distance) C4'-P energy: -66.105 bonds (distance) P-C4' energy: -70.809 flat angles C4'-P-C4' energy: -80.509 flat angles P-C4'-P energy: -40.099 tors. eta vs tors. theta energy: -48.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -577.429156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.429156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.429156 (E_RNA) where: Base-Base interactions energy: -299.025 where: short stacking energy: -160.451 Base-Backbone interact. energy: -1.253 local terms energy: -277.151185 where: bonds (distance) C4'-P energy: -73.152 bonds (distance) P-C4' energy: -83.455 flat angles C4'-P-C4' energy: -55.727 flat angles P-C4'-P energy: -51.334 tors. eta vs tors. theta energy: -13.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -516.434090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.434090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.434090 (E_RNA) where: Base-Base interactions energy: -273.939 where: short stacking energy: -155.243 Base-Backbone interact. energy: 0.252 local terms energy: -242.747828 where: bonds (distance) C4'-P energy: -68.306 bonds (distance) P-C4' energy: -81.264 flat angles C4'-P-C4' energy: -55.885 flat angles P-C4'-P energy: -33.612 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1590.065578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.065578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.065578 (E_RNA) where: Base-Base interactions energy: -1079.673 where: short stacking energy: -463.719 Base-Backbone interact. energy: 0.054 local terms energy: -510.446780 where: bonds (distance) C4'-P energy: -102.176 bonds (distance) P-C4' energy: -87.297 flat angles C4'-P-C4' energy: -100.823 flat angles P-C4'-P energy: -71.850 tors. eta vs tors. theta energy: -148.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1558.264755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.264755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.264755 (E_RNA) where: Base-Base interactions energy: -1068.786 where: short stacking energy: -445.405 Base-Backbone interact. energy: -1.593 local terms energy: -487.886094 where: bonds (distance) C4'-P energy: -99.524 bonds (distance) P-C4' energy: -78.972 flat angles C4'-P-C4' energy: -109.847 flat angles P-C4'-P energy: -63.471 tors. eta vs tors. theta energy: -136.073 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: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1473.973119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.973119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.973119 (E_RNA) where: Base-Base interactions energy: -1012.818 where: short stacking energy: -407.420 Base-Backbone interact. energy: 0.191 local terms energy: -461.346045 where: bonds (distance) C4'-P energy: -77.846 bonds (distance) P-C4' energy: -95.925 flat angles C4'-P-C4' energy: -94.714 flat angles P-C4'-P energy: -65.010 tors. eta vs tors. theta energy: -127.852 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: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1417.195130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.195130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.195130 (E_RNA) where: Base-Base interactions energy: -962.393 where: short stacking energy: -405.683 Base-Backbone interact. energy: -2.183 local terms energy: -452.619276 where: bonds (distance) C4'-P energy: -87.445 bonds (distance) P-C4' energy: -91.134 flat angles C4'-P-C4' energy: -96.052 flat angles P-C4'-P energy: -59.662 tors. eta vs tors. theta energy: -118.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1249.442782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.442782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.442782 (E_RNA) where: Base-Base interactions energy: -871.194 where: short stacking energy: -341.149 Base-Backbone interact. energy: 3.720 local terms energy: -381.969317 where: bonds (distance) C4'-P energy: -72.510 bonds (distance) P-C4' energy: -88.251 flat angles C4'-P-C4' energy: -77.887 flat angles P-C4'-P energy: -47.163 tors. eta vs tors. theta energy: -96.158 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: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1104.724418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.724418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.724418 (E_RNA) where: Base-Base interactions energy: -719.097 where: short stacking energy: -332.408 Base-Backbone interact. energy: -0.263 local terms energy: -385.364856 where: bonds (distance) C4'-P energy: -73.036 bonds (distance) P-C4' energy: -81.259 flat angles C4'-P-C4' energy: -86.048 flat angles P-C4'-P energy: -67.553 tors. eta vs tors. theta energy: -77.468 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: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -929.153218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.153218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.153218 (E_RNA) where: Base-Base interactions energy: -565.762 where: short stacking energy: -262.920 Base-Backbone interact. energy: -0.730 local terms energy: -362.661196 where: bonds (distance) C4'-P energy: -77.388 bonds (distance) P-C4' energy: -86.682 flat angles C4'-P-C4' energy: -79.889 flat angles P-C4'-P energy: -56.084 tors. eta vs tors. theta energy: -62.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -778.504120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.504120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.504120 (E_RNA) where: Base-Base interactions energy: -450.980 where: short stacking energy: -204.356 Base-Backbone interact. energy: 2.120 local terms energy: -329.644609 where: bonds (distance) C4'-P energy: -70.131 bonds (distance) P-C4' energy: -88.699 flat angles C4'-P-C4' energy: -75.611 flat angles P-C4'-P energy: -57.632 tors. eta vs tors. theta energy: -37.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -572.237972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.237972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.237972 (E_RNA) where: Base-Base interactions energy: -309.278 where: short stacking energy: -181.366 Base-Backbone interact. energy: 5.704 local terms energy: -268.664213 where: bonds (distance) C4'-P energy: -66.439 bonds (distance) P-C4' energy: -76.827 flat angles C4'-P-C4' energy: -59.407 flat angles P-C4'-P energy: -45.511 tors. eta vs tors. theta energy: -20.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -523.208316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.208316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.208316 (E_RNA) where: Base-Base interactions energy: -275.374 where: short stacking energy: -133.844 Base-Backbone interact. energy: 1.201 local terms energy: -249.035441 where: bonds (distance) C4'-P energy: -56.699 bonds (distance) P-C4' energy: -86.053 flat angles C4'-P-C4' energy: -63.868 flat angles P-C4'-P energy: -43.721 tors. eta vs tors. theta energy: 1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1605.470053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.470053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.470053 (E_RNA) where: Base-Base interactions energy: -1103.703 where: short stacking energy: -453.802 Base-Backbone interact. energy: -0.576 local terms energy: -501.191167 where: bonds (distance) C4'-P energy: -95.517 bonds (distance) P-C4' energy: -92.880 flat angles C4'-P-C4' energy: -103.605 flat angles P-C4'-P energy: -71.305 tors. eta vs tors. theta energy: -137.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1540.774274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.774274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.774274 (E_RNA) where: Base-Base interactions energy: -1059.454 where: short stacking energy: -470.114 Base-Backbone interact. energy: -0.974 local terms energy: -480.346411 where: bonds (distance) C4'-P energy: -78.983 bonds (distance) P-C4' energy: -88.878 flat angles C4'-P-C4' energy: -97.025 flat angles P-C4'-P energy: -72.522 tors. eta vs tors. theta energy: -142.939 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: 8 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1475.143618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.143618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.143618 (E_RNA) where: Base-Base interactions energy: -1020.996 where: short stacking energy: -414.737 Base-Backbone interact. energy: 0.380 local terms energy: -454.527534 where: bonds (distance) C4'-P energy: -81.446 bonds (distance) P-C4' energy: -92.984 flat angles C4'-P-C4' energy: -105.032 flat angles P-C4'-P energy: -59.972 tors. eta vs tors. theta energy: -115.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1450.484029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.484029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.484029 (E_RNA) where: Base-Base interactions energy: -1008.688 where: short stacking energy: -435.260 Base-Backbone interact. energy: 0.541 local terms energy: -442.336356 where: bonds (distance) C4'-P energy: -73.178 bonds (distance) P-C4' energy: -80.066 flat angles C4'-P-C4' energy: -93.911 flat angles P-C4'-P energy: -60.645 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: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1298.212696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.212696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.212696 (E_RNA) where: Base-Base interactions energy: -886.642 where: short stacking energy: -344.046 Base-Backbone interact. energy: -3.341 local terms energy: -408.229775 where: bonds (distance) C4'-P energy: -71.267 bonds (distance) P-C4' energy: -88.291 flat angles C4'-P-C4' energy: -90.529 flat angles P-C4'-P energy: -52.838 tors. eta vs tors. theta energy: -105.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1108.050153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.050153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.050153 (E_RNA) where: Base-Base interactions energy: -715.332 where: short stacking energy: -344.071 Base-Backbone interact. energy: -0.891 local terms energy: -391.827676 where: bonds (distance) C4'-P energy: -86.766 bonds (distance) P-C4' energy: -75.317 flat angles C4'-P-C4' energy: -87.406 flat angles P-C4'-P energy: -46.798 tors. eta vs tors. theta energy: -95.540 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: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -935.485739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.485739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.485739 (E_RNA) where: Base-Base interactions energy: -578.172 where: short stacking energy: -270.368 Base-Backbone interact. energy: 3.334 local terms energy: -360.647100 where: bonds (distance) C4'-P energy: -72.742 bonds (distance) P-C4' energy: -89.459 flat angles C4'-P-C4' energy: -86.264 flat angles P-C4'-P energy: -50.818 tors. eta vs tors. theta energy: -61.364 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: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -768.928922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.928922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.928922 (E_RNA) where: Base-Base interactions energy: -458.792 where: short stacking energy: -232.973 Base-Backbone interact. energy: 0.091 local terms energy: -310.227565 where: bonds (distance) C4'-P energy: -73.750 bonds (distance) P-C4' energy: -70.291 flat angles C4'-P-C4' energy: -81.271 flat angles P-C4'-P energy: -47.445 tors. eta vs tors. theta energy: -37.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -566.211951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.211951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.211951 (E_RNA) where: Base-Base interactions energy: -317.099 where: short stacking energy: -170.403 Base-Backbone interact. energy: -0.668 local terms energy: -248.444790 where: bonds (distance) C4'-P energy: -70.661 bonds (distance) P-C4' energy: -66.015 flat angles C4'-P-C4' energy: -65.529 flat angles P-C4'-P energy: -36.830 tors. eta vs tors. theta energy: -9.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -516.264422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.264422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.264422 (E_RNA) where: Base-Base interactions energy: -277.689 where: short stacking energy: -153.598 Base-Backbone interact. energy: -0.724 local terms energy: -237.851850 where: bonds (distance) C4'-P energy: -52.464 bonds (distance) P-C4' energy: -80.360 flat angles C4'-P-C4' energy: -64.138 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: 3.529 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: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1606.268217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.268217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.268217 (E_RNA) where: Base-Base interactions energy: -1129.154 where: short stacking energy: -468.215 Base-Backbone interact. energy: -2.971 local terms energy: -474.143236 where: bonds (distance) C4'-P energy: -89.050 bonds (distance) P-C4' energy: -83.109 flat angles C4'-P-C4' energy: -103.395 flat angles P-C4'-P energy: -66.511 tors. eta vs tors. theta energy: -132.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1524.416842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.416842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.416842 (E_RNA) where: Base-Base interactions energy: -1039.638 where: short stacking energy: -460.455 Base-Backbone interact. energy: 2.441 local terms energy: -487.220373 where: bonds (distance) C4'-P energy: -82.683 bonds (distance) P-C4' energy: -87.071 flat angles C4'-P-C4' energy: -100.817 flat angles P-C4'-P energy: -74.575 tors. eta vs tors. theta energy: -142.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1463.863571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.863571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.863571 (E_RNA) where: Base-Base interactions energy: -997.715 where: short stacking energy: -400.613 Base-Backbone interact. energy: -1.633 local terms energy: -464.515728 where: bonds (distance) C4'-P energy: -79.936 bonds (distance) P-C4' energy: -96.660 flat angles C4'-P-C4' energy: -95.387 flat angles P-C4'-P energy: -71.800 tors. eta vs tors. theta energy: -120.733 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: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1432.486596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.486596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.486596 (E_RNA) where: Base-Base interactions energy: -974.020 where: short stacking energy: -401.226 Base-Backbone interact. energy: -1.806 local terms energy: -456.660936 where: bonds (distance) C4'-P energy: -86.687 bonds (distance) P-C4' energy: -81.623 flat angles C4'-P-C4' energy: -99.856 flat angles P-C4'-P energy: -69.651 tors. eta vs tors. theta energy: -118.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1275.673656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.673656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.673656 (E_RNA) where: Base-Base interactions energy: -862.974 where: short stacking energy: -357.011 Base-Backbone interact. energy: -0.794 local terms energy: -411.905542 where: bonds (distance) C4'-P energy: -76.121 bonds (distance) P-C4' energy: -74.756 flat angles C4'-P-C4' energy: -97.984 flat angles P-C4'-P energy: -60.623 tors. eta vs tors. theta energy: -102.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1126.387004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.387004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.387004 (E_RNA) where: Base-Base interactions energy: -737.294 where: short stacking energy: -331.483 Base-Backbone interact. energy: 2.626 local terms energy: -391.718911 where: bonds (distance) C4'-P energy: -69.460 bonds (distance) P-C4' energy: -99.360 flat angles C4'-P-C4' energy: -77.021 flat angles P-C4'-P energy: -57.562 tors. eta vs tors. theta energy: -88.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -974.129828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.129828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.129828 (E_RNA) where: Base-Base interactions energy: -597.646 where: short stacking energy: -289.397 Base-Backbone interact. energy: -0.033 local terms energy: -376.451077 where: bonds (distance) C4'-P energy: -80.691 bonds (distance) P-C4' energy: -68.864 flat angles C4'-P-C4' energy: -82.638 flat angles P-C4'-P energy: -60.631 tors. eta vs tors. theta energy: -83.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -707.992581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.992581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.992581 (E_RNA) where: Base-Base interactions energy: -429.263 where: short stacking energy: -197.115 Base-Backbone interact. energy: 3.360 local terms energy: -282.090354 where: bonds (distance) C4'-P energy: -57.621 bonds (distance) P-C4' energy: -72.206 flat angles C4'-P-C4' energy: -81.054 flat angles P-C4'-P energy: -42.850 tors. eta vs tors. theta energy: -28.359 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: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -559.422412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.422412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.422412 (E_RNA) where: Base-Base interactions energy: -287.134 where: short stacking energy: -154.031 Base-Backbone interact. energy: 0.755 local terms energy: -273.042804 where: bonds (distance) C4'-P energy: -77.317 bonds (distance) P-C4' energy: -71.256 flat angles C4'-P-C4' energy: -64.741 flat angles P-C4'-P energy: -48.727 tors. eta vs tors. theta energy: -11.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -515.629984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.629984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.629984 (E_RNA) where: Base-Base interactions energy: -246.981 where: short stacking energy: -140.578 Base-Backbone interact. energy: 1.907 local terms energy: -270.555942 where: bonds (distance) C4'-P energy: -78.561 bonds (distance) P-C4' energy: -85.411 flat angles C4'-P-C4' energy: -65.596 flat angles P-C4'-P energy: -42.716 tors. eta vs tors. theta energy: 1.729 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: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1604.434845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.434845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.434845 (E_RNA) where: Base-Base interactions energy: -1119.254 where: short stacking energy: -460.069 Base-Backbone interact. energy: 0.145 local terms energy: -485.326184 where: bonds (distance) C4'-P energy: -86.660 bonds (distance) P-C4' energy: -84.199 flat angles C4'-P-C4' energy: -104.111 flat angles P-C4'-P energy: -72.076 tors. eta vs tors. theta energy: -138.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1554.672689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.672689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.672689 (E_RNA) where: Base-Base interactions energy: -1042.287 where: short stacking energy: -462.958 Base-Backbone interact. energy: -1.638 local terms energy: -510.748375 where: bonds (distance) C4'-P energy: -89.820 bonds (distance) P-C4' energy: -88.752 flat angles C4'-P-C4' energy: -108.433 flat angles P-C4'-P energy: -74.675 tors. eta vs tors. theta energy: -149.068 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: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1470.662723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.662723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.662723 (E_RNA) where: Base-Base interactions energy: -997.098 where: short stacking energy: -419.667 Base-Backbone interact. energy: -2.730 local terms energy: -470.834465 where: bonds (distance) C4'-P energy: -95.292 bonds (distance) P-C4' energy: -84.756 flat angles C4'-P-C4' energy: -100.361 flat angles P-C4'-P energy: -65.596 tors. eta vs tors. theta energy: -124.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1433.076348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.076348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.076348 (E_RNA) where: Base-Base interactions energy: -1000.729 where: short stacking energy: -418.387 Base-Backbone interact. energy: 1.969 local terms energy: -434.316699 where: bonds (distance) C4'-P energy: -81.088 bonds (distance) P-C4' energy: -63.573 flat angles C4'-P-C4' energy: -108.218 flat angles P-C4'-P energy: -68.961 tors. eta vs tors. theta energy: -112.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1289.878549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.878549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.878549 (E_RNA) where: Base-Base interactions energy: -886.733 where: short stacking energy: -365.695 Base-Backbone interact. energy: -1.327 local terms energy: -401.819183 where: bonds (distance) C4'-P energy: -66.790 bonds (distance) P-C4' energy: -76.253 flat angles C4'-P-C4' energy: -92.546 flat angles P-C4'-P energy: -60.869 tors. eta vs tors. theta energy: -105.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1099.024548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.024548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.024548 (E_RNA) where: Base-Base interactions energy: -719.821 where: short stacking energy: -330.784 Base-Backbone interact. energy: -2.044 local terms energy: -377.159276 where: bonds (distance) C4'-P energy: -65.056 bonds (distance) P-C4' energy: -82.849 flat angles C4'-P-C4' energy: -85.218 flat angles P-C4'-P energy: -58.665 tors. eta vs tors. theta energy: -85.371 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: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -960.339132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.339132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.339132 (E_RNA) where: Base-Base interactions energy: -593.125 where: short stacking energy: -298.530 Base-Backbone interact. energy: -0.432 local terms energy: -366.782398 where: bonds (distance) C4'-P energy: -82.535 bonds (distance) P-C4' energy: -78.767 flat angles C4'-P-C4' energy: -80.853 flat angles P-C4'-P energy: -46.002 tors. eta vs tors. theta energy: -78.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -751.855971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.855971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.855971 (E_RNA) where: Base-Base interactions energy: -425.169 where: short stacking energy: -214.366 Base-Backbone interact. energy: 0.689 local terms energy: -327.376501 where: bonds (distance) C4'-P energy: -76.565 bonds (distance) P-C4' energy: -80.722 flat angles C4'-P-C4' energy: -89.404 flat angles P-C4'-P energy: -54.304 tors. eta vs tors. theta energy: -26.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -516.767222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.767222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.767222 (E_RNA) where: Base-Base interactions energy: -257.933 where: short stacking energy: -142.995 Base-Backbone interact. energy: -0.891 local terms energy: -257.942617 where: bonds (distance) C4'-P energy: -74.840 bonds (distance) P-C4' energy: -89.578 flat angles C4'-P-C4' energy: -68.455 flat angles P-C4'-P energy: -37.301 tors. eta vs tors. theta energy: 12.232 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: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -560.201694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.201694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.201694 (E_RNA) where: Base-Base interactions energy: -292.441 where: short stacking energy: -156.339 Base-Backbone interact. energy: -0.669 local terms energy: -267.092337 where: bonds (distance) C4'-P energy: -76.983 bonds (distance) P-C4' energy: -68.288 flat angles C4'-P-C4' energy: -74.620 flat angles P-C4'-P energy: -43.816 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: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1603.670735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.670735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.670735 (E_RNA) where: Base-Base interactions energy: -1127.184 where: short stacking energy: -447.099 Base-Backbone interact. energy: -2.347 local terms energy: -474.139130 where: bonds (distance) C4'-P energy: -93.296 bonds (distance) P-C4' energy: -92.736 flat angles C4'-P-C4' energy: -99.900 flat angles P-C4'-P energy: -55.777 tors. eta vs tors. theta energy: -132.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1546.884816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.884816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.884816 (E_RNA) where: Base-Base interactions energy: -1051.815 where: short stacking energy: -468.293 Base-Backbone interact. energy: -1.452 local terms energy: -493.618573 where: bonds (distance) C4'-P energy: -80.275 bonds (distance) P-C4' energy: -97.215 flat angles C4'-P-C4' energy: -97.618 flat angles P-C4'-P energy: -66.104 tors. eta vs tors. theta energy: -152.406 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: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1471.890135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.890135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.890135 (E_RNA) where: Base-Base interactions energy: -1006.123 where: short stacking energy: -422.735 Base-Backbone interact. energy: -1.641 local terms energy: -464.125951 where: bonds (distance) C4'-P energy: -82.508 bonds (distance) P-C4' energy: -85.755 flat angles C4'-P-C4' energy: -99.618 flat angles P-C4'-P energy: -65.224 tors. eta vs tors. theta energy: -131.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1406.999862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.999862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.999862 (E_RNA) where: Base-Base interactions energy: -958.301 where: short stacking energy: -377.352 Base-Backbone interact. energy: 0.308 local terms energy: -449.007140 where: bonds (distance) C4'-P energy: -93.855 bonds (distance) P-C4' energy: -82.878 flat angles C4'-P-C4' energy: -90.094 flat angles P-C4'-P energy: -64.159 tors. eta vs tors. theta energy: -118.021 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: 5, replica: 3 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1261.395813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.395813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.395813 (E_RNA) where: Base-Base interactions energy: -879.857 where: short stacking energy: -375.111 Base-Backbone interact. energy: -1.585 local terms energy: -379.953435 where: bonds (distance) C4'-P energy: -69.359 bonds (distance) P-C4' energy: -79.356 flat angles C4'-P-C4' energy: -81.227 flat angles P-C4'-P energy: -53.530 tors. eta vs tors. theta energy: -96.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1118.020258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.020258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.020258 (E_RNA) where: Base-Base interactions energy: -716.210 where: short stacking energy: -324.242 Base-Backbone interact. energy: -0.120 local terms energy: -401.690390 where: bonds (distance) C4'-P energy: -91.856 bonds (distance) P-C4' energy: -82.111 flat angles C4'-P-C4' energy: -74.604 flat angles P-C4'-P energy: -55.986 tors. eta vs tors. theta energy: -97.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -938.584620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.584620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.584620 (E_RNA) where: Base-Base interactions energy: -590.523 where: short stacking energy: -268.738 Base-Backbone interact. energy: 1.239 local terms energy: -349.300683 where: bonds (distance) C4'-P energy: -75.307 bonds (distance) P-C4' energy: -87.521 flat angles C4'-P-C4' energy: -82.402 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -54.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -769.737853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.737853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.737853 (E_RNA) where: Base-Base interactions energy: -443.372 where: short stacking energy: -207.899 Base-Backbone interact. energy: -1.319 local terms energy: -325.047189 where: bonds (distance) C4'-P energy: -86.075 bonds (distance) P-C4' energy: -63.824 flat angles C4'-P-C4' energy: -79.865 flat angles P-C4'-P energy: -48.762 tors. eta vs tors. theta energy: -46.522 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: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -549.952349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.952349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.952349 (E_RNA) where: Base-Base interactions energy: -293.959 where: short stacking energy: -161.876 Base-Backbone interact. energy: 0.589 local terms energy: -256.582920 where: bonds (distance) C4'-P energy: -55.203 bonds (distance) P-C4' energy: -81.456 flat angles C4'-P-C4' energy: -65.215 flat angles P-C4'-P energy: -47.340 tors. eta vs tors. theta energy: -7.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -522.867524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.867524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.867524 (E_RNA) where: Base-Base interactions energy: -254.451 where: short stacking energy: -154.041 Base-Backbone interact. energy: 2.595 local terms energy: -271.011545 where: bonds (distance) C4'-P energy: -70.988 bonds (distance) P-C4' energy: -90.024 flat angles C4'-P-C4' energy: -71.804 flat angles P-C4'-P energy: -28.801 tors. eta vs tors. theta energy: -9.395 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: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1577.143889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.143889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.143889 (E_RNA) where: Base-Base interactions energy: -1075.775 where: short stacking energy: -465.281 Base-Backbone interact. energy: -0.010 local terms energy: -501.359004 where: bonds (distance) C4'-P energy: -96.796 bonds (distance) P-C4' energy: -95.372 flat angles C4'-P-C4' energy: -93.964 flat angles P-C4'-P energy: -69.738 tors. eta vs tors. theta energy: -145.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1557.949814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.949814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.949814 (E_RNA) where: Base-Base interactions energy: -1086.169 where: short stacking energy: -431.846 Base-Backbone interact. energy: -2.311 local terms energy: -469.469755 where: bonds (distance) C4'-P energy: -83.148 bonds (distance) P-C4' energy: -88.336 flat angles C4'-P-C4' energy: -105.534 flat angles P-C4'-P energy: -64.650 tors. eta vs tors. theta energy: -127.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1468.508313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.508313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.508313 (E_RNA) where: Base-Base interactions energy: -1001.546 where: short stacking energy: -436.819 Base-Backbone interact. energy: 0.369 local terms energy: -467.330765 where: bonds (distance) C4'-P energy: -80.087 bonds (distance) P-C4' energy: -86.901 flat angles C4'-P-C4' energy: -99.108 flat angles P-C4'-P energy: -63.244 tors. eta vs tors. theta energy: -137.991 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: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1430.129956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.129956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.129956 (E_RNA) where: Base-Base interactions energy: -965.070 where: short stacking energy: -396.367 Base-Backbone interact. energy: 0.069 local terms energy: -465.128450 where: bonds (distance) C4'-P energy: -92.650 bonds (distance) P-C4' energy: -92.916 flat angles C4'-P-C4' energy: -103.789 flat angles P-C4'-P energy: -66.584 tors. eta vs tors. theta energy: -109.190 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: 3 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1322.146723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.146723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.146723 (E_RNA) where: Base-Base interactions energy: -905.996 where: short stacking energy: -369.572 Base-Backbone interact. energy: -3.543 local terms energy: -412.607427 where: bonds (distance) C4'-P energy: -77.443 bonds (distance) P-C4' energy: -89.740 flat angles C4'-P-C4' energy: -83.821 flat angles P-C4'-P energy: -52.029 tors. eta vs tors. theta energy: -109.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1058.054134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.054134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.054134 (E_RNA) where: Base-Base interactions energy: -692.465 where: short stacking energy: -307.666 Base-Backbone interact. energy: 1.224 local terms energy: -366.813841 where: bonds (distance) C4'-P energy: -76.367 bonds (distance) P-C4' energy: -66.928 flat angles C4'-P-C4' energy: -89.493 flat angles P-C4'-P energy: -58.806 tors. eta vs tors. theta energy: -75.220 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: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -904.650194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.650194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.650194 (E_RNA) where: Base-Base interactions energy: -568.914 where: short stacking energy: -240.829 Base-Backbone interact. energy: 6.422 local terms energy: -342.158469 where: bonds (distance) C4'-P energy: -86.531 bonds (distance) P-C4' energy: -80.479 flat angles C4'-P-C4' energy: -69.587 flat angles P-C4'-P energy: -60.145 tors. eta vs tors. theta energy: -45.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -755.904695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.904695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.904695 (E_RNA) where: Base-Base interactions energy: -440.694 where: short stacking energy: -211.628 Base-Backbone interact. energy: -1.354 local terms energy: -313.856873 where: bonds (distance) C4'-P energy: -77.459 bonds (distance) P-C4' energy: -86.324 flat angles C4'-P-C4' energy: -72.138 flat angles P-C4'-P energy: -47.708 tors. eta vs tors. theta energy: -30.228 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: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -543.266661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.266661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.266661 (E_RNA) where: Base-Base interactions energy: -286.361 where: short stacking energy: -175.774 Base-Backbone interact. energy: 1.448 local terms energy: -258.353187 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -72.432 flat angles C4'-P-C4' energy: -73.827 flat angles P-C4'-P energy: -24.123 tors. eta vs tors. theta energy: -17.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -524.913253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.913253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.913253 (E_RNA) where: Base-Base interactions energy: -253.518 where: short stacking energy: -133.628 Base-Backbone interact. energy: -1.524 local terms energy: -269.871364 where: bonds (distance) C4'-P energy: -63.763 bonds (distance) P-C4' energy: -82.027 flat angles C4'-P-C4' energy: -73.327 flat angles P-C4'-P energy: -42.930 tors. eta vs tors. theta energy: -7.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1576.500353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.500353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.500353 (E_RNA) where: Base-Base interactions energy: -1077.956 where: short stacking energy: -479.830 Base-Backbone interact. energy: -1.083 local terms energy: -497.460925 where: bonds (distance) C4'-P energy: -78.793 bonds (distance) P-C4' energy: -89.527 flat angles C4'-P-C4' energy: -104.580 flat angles P-C4'-P energy: -74.913 tors. eta vs tors. theta energy: -149.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1576.336848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.336848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.336848 (E_RNA) where: Base-Base interactions energy: -1101.305 where: short stacking energy: -440.065 Base-Backbone interact. energy: -0.308 local terms energy: -474.724276 where: bonds (distance) C4'-P energy: -89.227 bonds (distance) P-C4' energy: -83.694 flat angles C4'-P-C4' energy: -98.401 flat angles P-C4'-P energy: -67.116 tors. eta vs tors. theta energy: -136.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1449.102044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.102044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.102044 (E_RNA) where: Base-Base interactions energy: -966.731 where: short stacking energy: -412.092 Base-Backbone interact. energy: 0.061 local terms energy: -482.431607 where: bonds (distance) C4'-P energy: -81.708 bonds (distance) P-C4' energy: -86.314 flat angles C4'-P-C4' energy: -106.500 flat angles P-C4'-P energy: -76.872 tors. eta vs tors. theta energy: -131.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1457.816806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.816806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.816806 (E_RNA) where: Base-Base interactions energy: -1018.683 where: short stacking energy: -416.432 Base-Backbone interact. energy: 1.736 local terms energy: -440.870218 where: bonds (distance) C4'-P energy: -85.674 bonds (distance) P-C4' energy: -88.845 flat angles C4'-P-C4' energy: -94.697 flat angles P-C4'-P energy: -57.984 tors. eta vs tors. theta energy: -113.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1324.427180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.427180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.427180 (E_RNA) where: Base-Base interactions energy: -908.721 where: short stacking energy: -376.871 Base-Backbone interact. energy: -2.904 local terms energy: -412.802349 where: bonds (distance) C4'-P energy: -75.870 bonds (distance) P-C4' energy: -77.657 flat angles C4'-P-C4' energy: -81.426 flat angles P-C4'-P energy: -68.224 tors. eta vs tors. theta energy: -109.626 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: 6 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1074.013904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.013904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.013904 (E_RNA) where: Base-Base interactions energy: -699.076 where: short stacking energy: -323.868 Base-Backbone interact. energy: -0.096 local terms energy: -374.841559 where: bonds (distance) C4'-P energy: -72.067 bonds (distance) P-C4' energy: -81.809 flat angles C4'-P-C4' energy: -88.141 flat angles P-C4'-P energy: -54.991 tors. eta vs tors. theta energy: -77.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -887.850777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.850777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.850777 (E_RNA) where: Base-Base interactions energy: -542.726 where: short stacking energy: -256.688 Base-Backbone interact. energy: 1.504 local terms energy: -346.629022 where: bonds (distance) C4'-P energy: -71.438 bonds (distance) P-C4' energy: -70.757 flat angles C4'-P-C4' energy: -87.335 flat angles P-C4'-P energy: -54.471 tors. eta vs tors. theta energy: -62.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -790.208912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.208912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.208912 (E_RNA) where: Base-Base interactions energy: -486.188 where: short stacking energy: -234.094 Base-Backbone interact. energy: -0.415 local terms energy: -303.606210 where: bonds (distance) C4'-P energy: -71.032 bonds (distance) P-C4' energy: -80.920 flat angles C4'-P-C4' energy: -78.218 flat angles P-C4'-P energy: -45.655 tors. eta vs tors. theta energy: -27.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -537.087007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.087007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.087007 (E_RNA) where: Base-Base interactions energy: -295.694 where: short stacking energy: -169.820 Base-Backbone interact. energy: -0.512 local terms energy: -240.880596 where: bonds (distance) C4'-P energy: -55.481 bonds (distance) P-C4' energy: -84.602 flat angles C4'-P-C4' energy: -38.353 flat angles P-C4'-P energy: -56.687 tors. eta vs tors. theta energy: -5.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -515.303628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.303628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.303628 (E_RNA) where: Base-Base interactions energy: -265.445 where: short stacking energy: -133.353 Base-Backbone interact. energy: 2.423 local terms energy: -252.281413 where: bonds (distance) C4'-P energy: -75.715 bonds (distance) P-C4' energy: -91.244 flat angles C4'-P-C4' energy: -51.305 flat angles P-C4'-P energy: -34.304 tors. eta vs tors. theta energy: 0.287 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: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1591.094161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.094161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.094161 (E_RNA) where: Base-Base interactions energy: -1066.943 where: short stacking energy: -481.660 Base-Backbone interact. energy: -1.461 local terms energy: -522.690290 where: bonds (distance) C4'-P energy: -92.686 bonds (distance) P-C4' energy: -91.882 flat angles C4'-P-C4' energy: -108.103 flat angles P-C4'-P energy: -76.656 tors. eta vs tors. theta energy: -153.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1585.946866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.946866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.946866 (E_RNA) where: Base-Base interactions energy: -1123.546 where: short stacking energy: -447.345 Base-Backbone interact. energy: -1.708 local terms energy: -460.693321 where: bonds (distance) C4'-P energy: -84.385 bonds (distance) P-C4' energy: -84.348 flat angles C4'-P-C4' energy: -93.770 flat angles P-C4'-P energy: -66.371 tors. eta vs tors. theta energy: -131.820 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: 8 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1518.574757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.574757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.574757 (E_RNA) where: Base-Base interactions energy: -1061.673 where: short stacking energy: -435.523 Base-Backbone interact. energy: -2.328 local terms energy: -454.574243 where: bonds (distance) C4'-P energy: -88.801 bonds (distance) P-C4' energy: -81.550 flat angles C4'-P-C4' energy: -98.982 flat angles P-C4'-P energy: -66.203 tors. eta vs tors. theta energy: -119.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1446.621975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.621975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.621975 (E_RNA) where: Base-Base interactions energy: -983.782 where: short stacking energy: -425.342 Base-Backbone interact. energy: -2.575 local terms energy: -460.265147 where: bonds (distance) C4'-P energy: -77.829 bonds (distance) P-C4' energy: -98.786 flat angles C4'-P-C4' energy: -92.292 flat angles P-C4'-P energy: -61.390 tors. eta vs tors. theta energy: -129.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1293.022509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.022509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.022509 (E_RNA) where: Base-Base interactions energy: -854.447 where: short stacking energy: -367.255 Base-Backbone interact. energy: -1.148 local terms energy: -437.427556 where: bonds (distance) C4'-P energy: -88.323 bonds (distance) P-C4' energy: -85.013 flat angles C4'-P-C4' energy: -100.869 flat angles P-C4'-P energy: -61.686 tors. eta vs tors. theta energy: -101.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1067.810754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.810754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.810754 (E_RNA) where: Base-Base interactions energy: -704.257 where: short stacking energy: -304.265 Base-Backbone interact. energy: -1.525 local terms energy: -362.028891 where: bonds (distance) C4'-P energy: -66.370 bonds (distance) P-C4' energy: -69.436 flat angles C4'-P-C4' energy: -78.370 flat angles P-C4'-P energy: -66.770 tors. eta vs tors. theta energy: -81.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -894.743861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.743861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.743861 (E_RNA) where: Base-Base interactions energy: -509.473 where: short stacking energy: -233.646 Base-Backbone interact. energy: -2.472 local terms energy: -382.798002 where: bonds (distance) C4'-P energy: -83.986 bonds (distance) P-C4' energy: -81.914 flat angles C4'-P-C4' energy: -101.403 flat angles P-C4'-P energy: -56.207 tors. eta vs tors. theta energy: -59.288 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: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -790.656403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.656403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.656403 (E_RNA) where: Base-Base interactions energy: -464.661 where: short stacking energy: -242.414 Base-Backbone interact. energy: -0.440 local terms energy: -325.555106 where: bonds (distance) C4'-P energy: -75.843 bonds (distance) P-C4' energy: -87.989 flat angles C4'-P-C4' energy: -72.677 flat angles P-C4'-P energy: -45.601 tors. eta vs tors. theta energy: -43.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -559.094537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.094537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.094537 (E_RNA) where: Base-Base interactions energy: -298.214 where: short stacking energy: -148.684 Base-Backbone interact. energy: 1.398 local terms energy: -262.278536 where: bonds (distance) C4'-P energy: -64.002 bonds (distance) P-C4' energy: -83.705 flat angles C4'-P-C4' energy: -67.161 flat angles P-C4'-P energy: -49.726 tors. eta vs tors. theta energy: 2.316 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: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -581.913645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.913645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.913645 (E_RNA) where: Base-Base interactions energy: -288.140 where: short stacking energy: -177.984 Base-Backbone interact. energy: -1.463 local terms energy: -292.310825 where: bonds (distance) C4'-P energy: -91.786 bonds (distance) P-C4' energy: -69.604 flat angles C4'-P-C4' energy: -74.919 flat angles P-C4'-P energy: -38.468 tors. eta vs tors. theta energy: -17.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1546.408340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.408340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.408340 (E_RNA) where: Base-Base interactions energy: -1037.060 where: short stacking energy: -465.966 Base-Backbone interact. energy: -3.440 local terms energy: -505.908183 where: bonds (distance) C4'-P energy: -93.541 bonds (distance) P-C4' energy: -86.210 flat angles C4'-P-C4' energy: -109.057 flat angles P-C4'-P energy: -68.164 tors. eta vs tors. theta energy: -148.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1584.072806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.072806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.072806 (E_RNA) where: Base-Base interactions energy: -1098.744 where: short stacking energy: -469.433 Base-Backbone interact. energy: -0.015 local terms energy: -485.313428 where: bonds (distance) C4'-P energy: -95.326 bonds (distance) P-C4' energy: -86.395 flat angles C4'-P-C4' energy: -109.726 flat angles P-C4'-P energy: -59.009 tors. eta vs tors. theta energy: -134.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1488.250926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.250926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.250926 (E_RNA) where: Base-Base interactions energy: -1029.518 where: short stacking energy: -433.188 Base-Backbone interact. energy: 2.716 local terms energy: -461.448917 where: bonds (distance) C4'-P energy: -97.026 bonds (distance) P-C4' energy: -82.710 flat angles C4'-P-C4' energy: -97.882 flat angles P-C4'-P energy: -65.347 tors. eta vs tors. theta energy: -118.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1446.997052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.997052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.997052 (E_RNA) where: Base-Base interactions energy: -985.987 where: short stacking energy: -413.672 Base-Backbone interact. energy: -3.050 local terms energy: -457.960583 where: bonds (distance) C4'-P energy: -74.960 bonds (distance) P-C4' energy: -89.909 flat angles C4'-P-C4' energy: -100.109 flat angles P-C4'-P energy: -74.820 tors. eta vs tors. theta energy: -118.162 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: 3 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1237.874000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.874000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.874000 (E_RNA) where: Base-Base interactions energy: -837.950 where: short stacking energy: -347.363 Base-Backbone interact. energy: -0.849 local terms energy: -399.074976 where: bonds (distance) C4'-P energy: -76.592 bonds (distance) P-C4' energy: -84.050 flat angles C4'-P-C4' energy: -93.755 flat angles P-C4'-P energy: -53.706 tors. eta vs tors. theta energy: -90.973 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: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1109.847280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.847280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.847280 (E_RNA) where: Base-Base interactions energy: -732.104 where: short stacking energy: -339.446 Base-Backbone interact. energy: -1.305 local terms energy: -376.439194 where: bonds (distance) C4'-P energy: -83.771 bonds (distance) P-C4' energy: -74.618 flat angles C4'-P-C4' energy: -81.723 flat angles P-C4'-P energy: -53.827 tors. eta vs tors. theta energy: -82.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -896.875705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.875705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.875705 (E_RNA) where: Base-Base interactions energy: -578.451 where: short stacking energy: -276.976 Base-Backbone interact. energy: -0.864 local terms energy: -317.560225 where: bonds (distance) C4'-P energy: -62.097 bonds (distance) P-C4' energy: -79.209 flat angles C4'-P-C4' energy: -79.031 flat angles P-C4'-P energy: -51.027 tors. eta vs tors. theta energy: -46.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -775.720345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.720345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.720345 (E_RNA) where: Base-Base interactions energy: -437.504 where: short stacking energy: -204.254 Base-Backbone interact. energy: -1.418 local terms energy: -336.798426 where: bonds (distance) C4'-P energy: -78.410 bonds (distance) P-C4' energy: -83.424 flat angles C4'-P-C4' energy: -80.118 flat angles P-C4'-P energy: -59.280 tors. eta vs tors. theta energy: -35.567 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: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -574.493310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.493310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.493310 (E_RNA) where: Base-Base interactions energy: -307.498 where: short stacking energy: -173.856 Base-Backbone interact. energy: -4.460 local terms energy: -262.535091 where: bonds (distance) C4'-P energy: -60.726 bonds (distance) P-C4' energy: -83.342 flat angles C4'-P-C4' energy: -71.409 flat angles P-C4'-P energy: -39.190 tors. eta vs tors. theta energy: -7.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -537.442342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.442342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.442342 (E_RNA) where: Base-Base interactions energy: -282.671 where: short stacking energy: -139.329 Base-Backbone interact. energy: -3.730 local terms energy: -251.040698 where: bonds (distance) C4'-P energy: -74.215 bonds (distance) P-C4' energy: -65.971 flat angles C4'-P-C4' energy: -77.967 flat angles P-C4'-P energy: -38.833 tors. eta vs tors. theta energy: 5.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1605.798704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.798704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.798704 (E_RNA) where: Base-Base interactions energy: -1098.306 where: short stacking energy: -445.764 Base-Backbone interact. energy: -1.698 local terms energy: -505.795265 where: bonds (distance) C4'-P energy: -90.523 bonds (distance) P-C4' energy: -101.845 flat angles C4'-P-C4' energy: -91.907 flat angles P-C4'-P energy: -80.177 tors. eta vs tors. theta energy: -141.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1509.267590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.267590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.267590 (E_RNA) where: Base-Base interactions energy: -1025.724 where: short stacking energy: -449.570 Base-Backbone interact. energy: -0.365 local terms energy: -483.179136 where: bonds (distance) C4'-P energy: -90.681 bonds (distance) P-C4' energy: -88.627 flat angles C4'-P-C4' energy: -90.624 flat angles P-C4'-P energy: -71.161 tors. eta vs tors. theta energy: -142.086 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: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1512.563023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.563023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.563023 (E_RNA) where: Base-Base interactions energy: -1050.101 where: short stacking energy: -442.224 Base-Backbone interact. energy: -1.398 local terms energy: -461.063882 where: bonds (distance) C4'-P energy: -73.348 bonds (distance) P-C4' energy: -85.323 flat angles C4'-P-C4' energy: -108.161 flat angles P-C4'-P energy: -68.031 tors. eta vs tors. theta energy: -126.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1413.145143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.145143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.145143 (E_RNA) where: Base-Base interactions energy: -964.816 where: short stacking energy: -394.091 Base-Backbone interact. energy: -0.544 local terms energy: -447.785758 where: bonds (distance) C4'-P energy: -83.646 bonds (distance) P-C4' energy: -94.064 flat angles C4'-P-C4' energy: -76.156 flat angles P-C4'-P energy: -72.974 tors. eta vs tors. theta energy: -120.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1293.359288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.359288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.359288 (E_RNA) where: Base-Base interactions energy: -881.247 where: short stacking energy: -352.157 Base-Backbone interact. energy: -3.610 local terms energy: -408.501641 where: bonds (distance) C4'-P energy: -87.438 bonds (distance) P-C4' energy: -79.047 flat angles C4'-P-C4' energy: -74.278 flat angles P-C4'-P energy: -67.027 tors. eta vs tors. theta energy: -100.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1076.683561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.683561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.683561 (E_RNA) where: Base-Base interactions energy: -700.524 where: short stacking energy: -280.819 Base-Backbone interact. energy: -1.172 local terms energy: -374.987835 where: bonds (distance) C4'-P energy: -69.113 bonds (distance) P-C4' energy: -94.625 flat angles C4'-P-C4' energy: -73.376 flat angles P-C4'-P energy: -66.775 tors. eta vs tors. theta energy: -71.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -892.347519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.347519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.347519 (E_RNA) where: Base-Base interactions energy: -560.884 where: short stacking energy: -256.105 Base-Backbone interact. energy: -1.186 local terms energy: -330.278083 where: bonds (distance) C4'-P energy: -75.743 bonds (distance) P-C4' energy: -82.590 flat angles C4'-P-C4' energy: -81.900 flat angles P-C4'-P energy: -52.856 tors. eta vs tors. theta energy: -37.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -768.349660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.349660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.349660 (E_RNA) where: Base-Base interactions energy: -450.478 where: short stacking energy: -245.890 Base-Backbone interact. energy: -0.417 local terms energy: -317.455419 where: bonds (distance) C4'-P energy: -84.171 bonds (distance) P-C4' energy: -74.404 flat angles C4'-P-C4' energy: -78.645 flat angles P-C4'-P energy: -33.357 tors. eta vs tors. theta energy: -46.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -549.420141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.420141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.420141 (E_RNA) where: Base-Base interactions energy: -262.176 where: short stacking energy: -148.696 Base-Backbone interact. energy: -2.308 local terms energy: -284.936538 where: bonds (distance) C4'-P energy: -83.497 bonds (distance) P-C4' energy: -63.501 flat angles C4'-P-C4' energy: -78.817 flat angles P-C4'-P energy: -46.279 tors. eta vs tors. theta energy: -12.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -511.447180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.447180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.447180 (E_RNA) where: Base-Base interactions energy: -273.911 where: short stacking energy: -131.020 Base-Backbone interact. energy: 1.486 local terms energy: -239.022326 where: bonds (distance) C4'-P energy: -62.617 bonds (distance) P-C4' energy: -73.348 flat angles C4'-P-C4' energy: -69.789 flat angles P-C4'-P energy: -35.564 tors. eta vs tors. theta energy: 2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1608.519760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.519760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.519760 (E_RNA) where: Base-Base interactions energy: -1100.092 where: short stacking energy: -459.666 Base-Backbone interact. energy: 0.751 local terms energy: -509.178816 where: bonds (distance) C4'-P energy: -97.652 bonds (distance) P-C4' energy: -101.323 flat angles C4'-P-C4' energy: -108.385 flat angles P-C4'-P energy: -69.970 tors. eta vs tors. theta energy: -131.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1554.043065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.043065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.043065 (E_RNA) where: Base-Base interactions energy: -1076.279 where: short stacking energy: -434.426 Base-Backbone interact. energy: 5.127 local terms energy: -482.891863 where: bonds (distance) C4'-P energy: -93.645 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -98.688 flat angles P-C4'-P energy: -69.834 tors. eta vs tors. theta energy: -121.419 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: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1469.344447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.344447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.344447 (E_RNA) where: Base-Base interactions energy: -997.464 where: short stacking energy: -437.507 Base-Backbone interact. energy: 2.967 local terms energy: -474.847575 where: bonds (distance) C4'-P energy: -82.154 bonds (distance) P-C4' energy: -94.661 flat angles C4'-P-C4' energy: -91.779 flat angles P-C4'-P energy: -71.087 tors. eta vs tors. theta energy: -135.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1401.820813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.820813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.820813 (E_RNA) where: Base-Base interactions energy: -958.201 where: short stacking energy: -391.930 Base-Backbone interact. energy: -1.636 local terms energy: -441.983934 where: bonds (distance) C4'-P energy: -80.434 bonds (distance) P-C4' energy: -82.940 flat angles C4'-P-C4' energy: -86.077 flat angles P-C4'-P energy: -69.294 tors. eta vs tors. theta energy: -123.240 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: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1243.801132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.801132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.801132 (E_RNA) where: Base-Base interactions energy: -844.683 where: short stacking energy: -342.899 Base-Backbone interact. energy: -1.113 local terms energy: -398.005247 where: bonds (distance) C4'-P energy: -76.808 bonds (distance) P-C4' energy: -73.245 flat angles C4'-P-C4' energy: -86.209 flat angles P-C4'-P energy: -71.866 tors. eta vs tors. theta energy: -89.878 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: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1169.101892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.101892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.101892 (E_RNA) where: Base-Base interactions energy: -759.519 where: short stacking energy: -339.871 Base-Backbone interact. energy: -0.522 local terms energy: -409.060407 where: bonds (distance) C4'-P energy: -75.165 bonds (distance) P-C4' energy: -85.842 flat angles C4'-P-C4' energy: -87.513 flat angles P-C4'-P energy: -58.486 tors. eta vs tors. theta energy: -102.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -894.261258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.261258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.261258 (E_RNA) where: Base-Base interactions energy: -557.523 where: short stacking energy: -255.115 Base-Backbone interact. energy: 1.099 local terms energy: -337.837485 where: bonds (distance) C4'-P energy: -70.321 bonds (distance) P-C4' energy: -83.184 flat angles C4'-P-C4' energy: -69.870 flat angles P-C4'-P energy: -61.056 tors. eta vs tors. theta energy: -53.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -753.370233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.370233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.370233 (E_RNA) where: Base-Base interactions energy: -456.718 where: short stacking energy: -247.999 Base-Backbone interact. energy: 2.995 local terms energy: -299.646456 where: bonds (distance) C4'-P energy: -57.565 bonds (distance) P-C4' energy: -81.485 flat angles C4'-P-C4' energy: -76.938 flat angles P-C4'-P energy: -41.376 tors. eta vs tors. theta energy: -42.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -551.573052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.573052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.573052 (E_RNA) where: Base-Base interactions energy: -287.370 where: short stacking energy: -183.550 Base-Backbone interact. energy: -2.910 local terms energy: -261.292462 where: bonds (distance) C4'-P energy: -70.025 bonds (distance) P-C4' energy: -71.413 flat angles C4'-P-C4' energy: -72.595 flat angles P-C4'-P energy: -32.433 tors. eta vs tors. theta energy: -14.826 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: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -550.068083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.068083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.068083 (E_RNA) where: Base-Base interactions energy: -277.048 where: short stacking energy: -136.714 Base-Backbone interact. energy: 2.940 local terms energy: -275.960313 where: bonds (distance) C4'-P energy: -79.967 bonds (distance) P-C4' energy: -88.454 flat angles C4'-P-C4' energy: -69.609 flat angles P-C4'-P energy: -39.106 tors. eta vs tors. theta energy: 1.176 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: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1606.304294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.304294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.304294 (E_RNA) where: Base-Base interactions energy: -1107.377 where: short stacking energy: -467.354 Base-Backbone interact. energy: -0.337 local terms energy: -498.590728 where: bonds (distance) C4'-P energy: -95.360 bonds (distance) P-C4' energy: -87.710 flat angles C4'-P-C4' energy: -108.485 flat angles P-C4'-P energy: -71.461 tors. eta vs tors. theta energy: -135.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1535.894581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.894581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.894581 (E_RNA) where: Base-Base interactions energy: -1073.000 where: short stacking energy: -444.625 Base-Backbone interact. energy: -0.534 local terms energy: -462.360558 where: bonds (distance) C4'-P energy: -87.212 bonds (distance) P-C4' energy: -82.225 flat angles C4'-P-C4' energy: -112.022 flat angles P-C4'-P energy: -51.453 tors. eta vs tors. theta energy: -129.449 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: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1477.209044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.209044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.209044 (E_RNA) where: Base-Base interactions energy: -1008.594 where: short stacking energy: -416.573 Base-Backbone interact. energy: 1.522 local terms energy: -470.137694 where: bonds (distance) C4'-P energy: -68.915 bonds (distance) P-C4' energy: -93.685 flat angles C4'-P-C4' energy: -103.798 flat angles P-C4'-P energy: -71.999 tors. eta vs tors. theta energy: -131.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1421.883279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.883279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.883279 (E_RNA) where: Base-Base interactions energy: -970.032 where: short stacking energy: -408.292 Base-Backbone interact. energy: -2.028 local terms energy: -449.823871 where: bonds (distance) C4'-P energy: -70.384 bonds (distance) P-C4' energy: -92.064 flat angles C4'-P-C4' energy: -92.857 flat angles P-C4'-P energy: -62.743 tors. eta vs tors. theta energy: -131.776 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: 320 Temperature: 1.100000 Total energy: -1252.649703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.649703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.649703 (E_RNA) where: Base-Base interactions energy: -839.935 where: short stacking energy: -343.134 Base-Backbone interact. energy: -1.366 local terms energy: -411.349525 where: bonds (distance) C4'-P energy: -76.123 bonds (distance) P-C4' energy: -83.981 flat angles C4'-P-C4' energy: -100.692 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -92.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1165.529622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.529622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.529622 (E_RNA) where: Base-Base interactions energy: -791.548 where: short stacking energy: -362.988 Base-Backbone interact. energy: 1.133 local terms energy: -375.114120 where: bonds (distance) C4'-P energy: -56.546 bonds (distance) P-C4' energy: -65.365 flat angles C4'-P-C4' energy: -97.060 flat angles P-C4'-P energy: -55.915 tors. eta vs tors. theta energy: -100.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -887.404361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.404361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.404361 (E_RNA) where: Base-Base interactions energy: -520.307 where: short stacking energy: -247.317 Base-Backbone interact. energy: -1.110 local terms energy: -365.987823 where: bonds (distance) C4'-P energy: -74.675 bonds (distance) P-C4' energy: -95.634 flat angles C4'-P-C4' energy: -74.364 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: -61.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -735.724496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.724496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.724496 (E_RNA) where: Base-Base interactions energy: -437.670 where: short stacking energy: -201.527 Base-Backbone interact. energy: -1.376 local terms energy: -296.678910 where: bonds (distance) C4'-P energy: -78.474 bonds (distance) P-C4' energy: -82.359 flat angles C4'-P-C4' energy: -71.377 flat angles P-C4'-P energy: -38.339 tors. eta vs tors. theta energy: -26.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -538.247288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.247288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.247288 (E_RNA) where: Base-Base interactions energy: -261.878 where: short stacking energy: -115.318 Base-Backbone interact. energy: 4.722 local terms energy: -281.090800 where: bonds (distance) C4'-P energy: -70.336 bonds (distance) P-C4' energy: -95.753 flat angles C4'-P-C4' energy: -72.124 flat angles P-C4'-P energy: -52.305 tors. eta vs tors. theta energy: 9.427 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: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -565.244448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.244448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.244448 (E_RNA) where: Base-Base interactions energy: -290.456 where: short stacking energy: -136.633 Base-Backbone interact. energy: 1.892 local terms energy: -276.680458 where: bonds (distance) C4'-P energy: -74.217 bonds (distance) P-C4' energy: -79.332 flat angles C4'-P-C4' energy: -76.734 flat angles P-C4'-P energy: -47.374 tors. eta vs tors. theta energy: 0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1587.427110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.427110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.427110 (E_RNA) where: Base-Base interactions energy: -1099.120 where: short stacking energy: -456.920 Base-Backbone interact. energy: -1.336 local terms energy: -486.971476 where: bonds (distance) C4'-P energy: -86.134 bonds (distance) P-C4' energy: -94.098 flat angles C4'-P-C4' energy: -94.334 flat angles P-C4'-P energy: -76.643 tors. eta vs tors. theta energy: -135.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1494.185387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.185387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.185387 (E_RNA) where: Base-Base interactions energy: -1035.258 where: short stacking energy: -432.085 Base-Backbone interact. energy: 0.400 local terms energy: -459.326901 where: bonds (distance) C4'-P energy: -87.060 bonds (distance) P-C4' energy: -86.582 flat angles C4'-P-C4' energy: -93.238 flat angles P-C4'-P energy: -58.372 tors. eta vs tors. theta energy: -134.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1476.728979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.728979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.728979 (E_RNA) where: Base-Base interactions energy: -1012.535 where: short stacking energy: -440.445 Base-Backbone interact. energy: 0.492 local terms energy: -464.686602 where: bonds (distance) C4'-P energy: -83.741 bonds (distance) P-C4' energy: -90.814 flat angles C4'-P-C4' energy: -100.352 flat angles P-C4'-P energy: -60.307 tors. eta vs tors. theta energy: -129.473 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: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1391.599686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.599686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.599686 (E_RNA) where: Base-Base interactions energy: -954.446 where: short stacking energy: -390.777 Base-Backbone interact. energy: -1.585 local terms energy: -435.568783 where: bonds (distance) C4'-P energy: -65.850 bonds (distance) P-C4' energy: -84.574 flat angles C4'-P-C4' energy: -101.392 flat angles P-C4'-P energy: -71.024 tors. eta vs tors. theta energy: -112.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1278.372794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.372794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.372794 (E_RNA) where: Base-Base interactions energy: -857.085 where: short stacking energy: -339.533 Base-Backbone interact. energy: -2.938 local terms energy: -418.348958 where: bonds (distance) C4'-P energy: -80.367 bonds (distance) P-C4' energy: -97.095 flat angles C4'-P-C4' energy: -95.770 flat angles P-C4'-P energy: -50.269 tors. eta vs tors. theta energy: -94.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1145.170246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.170246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.170246 (E_RNA) where: Base-Base interactions energy: -774.824 where: short stacking energy: -363.369 Base-Backbone interact. energy: 0.592 local terms energy: -370.938967 where: bonds (distance) C4'-P energy: -61.045 bonds (distance) P-C4' energy: -79.434 flat angles C4'-P-C4' energy: -79.278 flat angles P-C4'-P energy: -66.894 tors. eta vs tors. theta energy: -84.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -892.354065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.354065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.354065 (E_RNA) where: Base-Base interactions energy: -540.677 where: short stacking energy: -271.212 Base-Backbone interact. energy: -1.922 local terms energy: -349.755324 where: bonds (distance) C4'-P energy: -76.556 bonds (distance) P-C4' energy: -96.700 flat angles C4'-P-C4' energy: -83.539 flat angles P-C4'-P energy: -45.500 tors. eta vs tors. theta energy: -47.461 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: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -709.142812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.142812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.142812 (E_RNA) where: Base-Base interactions energy: -418.511 where: short stacking energy: -189.487 Base-Backbone interact. energy: -0.896 local terms energy: -289.736003 where: bonds (distance) C4'-P energy: -83.130 bonds (distance) P-C4' energy: -86.741 flat angles C4'-P-C4' energy: -68.150 flat angles P-C4'-P energy: -34.404 tors. eta vs tors. theta energy: -17.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -577.136507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.136507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.136507 (E_RNA) where: Base-Base interactions energy: -272.379 where: short stacking energy: -152.624 Base-Backbone interact. energy: -2.999 local terms energy: -301.758471 where: bonds (distance) C4'-P energy: -88.950 bonds (distance) P-C4' energy: -77.699 flat angles C4'-P-C4' energy: -68.389 flat angles P-C4'-P energy: -61.027 tors. eta vs tors. theta energy: -5.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -519.326274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.326274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.326274 (E_RNA) where: Base-Base interactions energy: -267.092 where: short stacking energy: -164.086 Base-Backbone interact. energy: -0.430 local terms energy: -251.804296 where: bonds (distance) C4'-P energy: -66.244 bonds (distance) P-C4' energy: -76.678 flat angles C4'-P-C4' energy: -69.137 flat angles P-C4'-P energy: -35.249 tors. eta vs tors. theta energy: -4.497 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: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1602.424061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.424061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.424061 (E_RNA) where: Base-Base interactions energy: -1113.907 where: short stacking energy: -459.679 Base-Backbone interact. energy: -0.623 local terms energy: -487.893983 where: bonds (distance) C4'-P energy: -91.236 bonds (distance) P-C4' energy: -87.886 flat angles C4'-P-C4' energy: -104.491 flat angles P-C4'-P energy: -64.114 tors. eta vs tors. theta energy: -140.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1498.937718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.937718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.937718 (E_RNA) where: Base-Base interactions energy: -1048.687 where: short stacking energy: -459.916 Base-Backbone interact. energy: -1.062 local terms energy: -449.188466 where: bonds (distance) C4'-P energy: -75.070 bonds (distance) P-C4' energy: -78.071 flat angles C4'-P-C4' energy: -100.656 flat angles P-C4'-P energy: -64.254 tors. eta vs tors. theta energy: -131.136 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: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1471.588196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.588196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.588196 (E_RNA) where: Base-Base interactions energy: -1007.444 where: short stacking energy: -409.938 Base-Backbone interact. energy: 2.507 local terms energy: -466.651291 where: bonds (distance) C4'-P energy: -86.245 bonds (distance) P-C4' energy: -81.328 flat angles C4'-P-C4' energy: -98.750 flat angles P-C4'-P energy: -77.630 tors. eta vs tors. theta energy: -122.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1438.991428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.991428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.991428 (E_RNA) where: Base-Base interactions energy: -1010.463 where: short stacking energy: -415.212 Base-Backbone interact. energy: 0.339 local terms energy: -428.868214 where: bonds (distance) C4'-P energy: -74.112 bonds (distance) P-C4' energy: -77.989 flat angles C4'-P-C4' energy: -90.706 flat angles P-C4'-P energy: -61.439 tors. eta vs tors. theta energy: -124.622 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: 3 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1296.735968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.735968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.735968 (E_RNA) where: Base-Base interactions energy: -877.790 where: short stacking energy: -357.530 Base-Backbone interact. energy: -0.949 local terms energy: -417.997038 where: bonds (distance) C4'-P energy: -80.282 bonds (distance) P-C4' energy: -82.774 flat angles C4'-P-C4' energy: -98.408 flat angles P-C4'-P energy: -55.562 tors. eta vs tors. theta energy: -100.971 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: 6 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1183.833301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.833301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.833301 (E_RNA) where: Base-Base interactions energy: -781.541 where: short stacking energy: -348.707 Base-Backbone interact. energy: 0.526 local terms energy: -402.817687 where: bonds (distance) C4'-P energy: -88.831 bonds (distance) P-C4' energy: -86.576 flat angles C4'-P-C4' energy: -90.934 flat angles P-C4'-P energy: -39.065 tors. eta vs tors. theta energy: -97.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -916.333140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.333140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.333140 (E_RNA) where: Base-Base interactions energy: -553.738 where: short stacking energy: -269.024 Base-Backbone interact. energy: -1.858 local terms energy: -360.738011 where: bonds (distance) C4'-P energy: -77.550 bonds (distance) P-C4' energy: -83.165 flat angles C4'-P-C4' energy: -80.300 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: -67.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -706.580295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.580295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.580295 (E_RNA) where: Base-Base interactions energy: -397.513 where: short stacking energy: -216.913 Base-Backbone interact. energy: 4.523 local terms energy: -313.589872 where: bonds (distance) C4'-P energy: -62.619 bonds (distance) P-C4' energy: -88.311 flat angles C4'-P-C4' energy: -82.522 flat angles P-C4'-P energy: -38.284 tors. eta vs tors. theta energy: -41.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -584.474789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.474789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.474789 (E_RNA) where: Base-Base interactions energy: -327.024 where: short stacking energy: -166.157 Base-Backbone interact. energy: -0.020 local terms energy: -257.430835 where: bonds (distance) C4'-P energy: -74.497 bonds (distance) P-C4' energy: -62.471 flat angles C4'-P-C4' energy: -64.212 flat angles P-C4'-P energy: -34.903 tors. eta vs tors. theta energy: -21.347 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: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -522.976262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.976262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.976262 (E_RNA) where: Base-Base interactions energy: -256.710 where: short stacking energy: -143.728 Base-Backbone interact. energy: -1.473 local terms energy: -264.792708 where: bonds (distance) C4'-P energy: -74.814 bonds (distance) P-C4' energy: -77.777 flat angles C4'-P-C4' energy: -64.978 flat angles P-C4'-P energy: -44.888 tors. eta vs tors. theta energy: -2.336 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: 323 Temperature: 0.900000 Total energy: -1611.205716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.205716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.205716 (E_RNA) where: Base-Base interactions energy: -1124.616 where: short stacking energy: -452.364 Base-Backbone interact. energy: -0.685 local terms energy: -485.904732 where: bonds (distance) C4'-P energy: -88.991 bonds (distance) P-C4' energy: -95.489 flat angles C4'-P-C4' energy: -105.758 flat angles P-C4'-P energy: -58.778 tors. eta vs tors. theta energy: -136.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1474.741054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.741054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.741054 (E_RNA) where: Base-Base interactions energy: -1023.969 where: short stacking energy: -405.155 Base-Backbone interact. energy: 4.221 local terms energy: -454.993164 where: bonds (distance) C4'-P energy: -80.471 bonds (distance) P-C4' energy: -86.974 flat angles C4'-P-C4' energy: -104.378 flat angles P-C4'-P energy: -68.659 tors. eta vs tors. theta energy: -114.511 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: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1488.352288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.352288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.352288 (E_RNA) where: Base-Base interactions energy: -1011.599 where: short stacking energy: -433.567 Base-Backbone interact. energy: -1.881 local terms energy: -474.872496 where: bonds (distance) C4'-P energy: -79.892 bonds (distance) P-C4' energy: -86.750 flat angles C4'-P-C4' energy: -102.078 flat angles P-C4'-P energy: -69.068 tors. eta vs tors. theta energy: -137.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1444.865418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.865418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.865418 (E_RNA) where: Base-Base interactions energy: -1002.829 where: short stacking energy: -405.892 Base-Backbone interact. energy: -1.152 local terms energy: -440.885006 where: bonds (distance) C4'-P energy: -73.347 bonds (distance) P-C4' energy: -86.291 flat angles C4'-P-C4' energy: -96.760 flat angles P-C4'-P energy: -63.941 tors. eta vs tors. theta energy: -120.546 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: 3 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1332.860484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.860484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.860484 (E_RNA) where: Base-Base interactions energy: -922.565 where: short stacking energy: -371.477 Base-Backbone interact. energy: -1.658 local terms energy: -408.637163 where: bonds (distance) C4'-P energy: -84.392 bonds (distance) P-C4' energy: -77.992 flat angles C4'-P-C4' energy: -85.169 flat angles P-C4'-P energy: -58.790 tors. eta vs tors. theta energy: -102.294 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: 6 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1180.255872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.255872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.255872 (E_RNA) where: Base-Base interactions energy: -766.227 where: short stacking energy: -346.805 Base-Backbone interact. energy: -0.731 local terms energy: -413.298371 where: bonds (distance) C4'-P energy: -72.630 bonds (distance) P-C4' energy: -82.368 flat angles C4'-P-C4' energy: -92.722 flat angles P-C4'-P energy: -62.859 tors. eta vs tors. theta energy: -102.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -905.160384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.160384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.160384 (E_RNA) where: Base-Base interactions energy: -531.951 where: short stacking energy: -254.814 Base-Backbone interact. energy: 0.909 local terms energy: -374.118535 where: bonds (distance) C4'-P energy: -90.123 bonds (distance) P-C4' energy: -87.768 flat angles C4'-P-C4' energy: -80.798 flat angles P-C4'-P energy: -55.179 tors. eta vs tors. theta energy: -60.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -705.963742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.963742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.963742 (E_RNA) where: Base-Base interactions energy: -425.341 where: short stacking energy: -183.400 Base-Backbone interact. energy: -2.163 local terms energy: -278.460018 where: bonds (distance) C4'-P energy: -64.855 bonds (distance) P-C4' energy: -77.365 flat angles C4'-P-C4' energy: -64.097 flat angles P-C4'-P energy: -55.965 tors. eta vs tors. theta energy: -16.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -545.179657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.179657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.179657 (E_RNA) where: Base-Base interactions energy: -272.454 where: short stacking energy: -163.653 Base-Backbone interact. energy: 0.015 local terms energy: -272.740274 where: bonds (distance) C4'-P energy: -71.293 bonds (distance) P-C4' energy: -80.174 flat angles C4'-P-C4' energy: -68.673 flat angles P-C4'-P energy: -37.791 tors. eta vs tors. theta energy: -14.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -540.738424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.738424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.738424 (E_RNA) where: Base-Base interactions energy: -294.550 where: short stacking energy: -158.973 Base-Backbone interact. energy: 3.292 local terms energy: -249.480110 where: bonds (distance) C4'-P energy: -61.165 bonds (distance) P-C4' energy: -90.427 flat angles C4'-P-C4' energy: -63.374 flat angles P-C4'-P energy: -29.363 tors. eta vs tors. theta energy: -5.150 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: 324 Temperature: 0.900000 Total energy: -1639.301251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.301251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.301251 (E_RNA) where: Base-Base interactions energy: -1130.756 where: short stacking energy: -467.814 Base-Backbone interact. energy: -2.519 local terms energy: -506.026024 where: bonds (distance) C4'-P energy: -86.974 bonds (distance) P-C4' energy: -90.445 flat angles C4'-P-C4' energy: -104.633 flat angles P-C4'-P energy: -78.173 tors. eta vs tors. theta energy: -145.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1493.260957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.260957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.260957 (E_RNA) where: Base-Base interactions energy: -1017.974 where: short stacking energy: -400.018 Base-Backbone interact. energy: -0.945 local terms energy: -474.341909 where: bonds (distance) C4'-P energy: -89.033 bonds (distance) P-C4' energy: -85.963 flat angles C4'-P-C4' energy: -105.332 flat angles P-C4'-P energy: -73.227 tors. eta vs tors. theta energy: -120.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1456.398199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.398199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.398199 (E_RNA) where: Base-Base interactions energy: -988.426 where: short stacking energy: -444.770 Base-Backbone interact. energy: -1.232 local terms energy: -466.740377 where: bonds (distance) C4'-P energy: -81.413 bonds (distance) P-C4' energy: -80.155 flat angles C4'-P-C4' energy: -105.350 flat angles P-C4'-P energy: -61.467 tors. eta vs tors. theta energy: -138.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1442.930909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.930909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.930909 (E_RNA) where: Base-Base interactions energy: -984.205 where: short stacking energy: -399.850 Base-Backbone interact. energy: -3.727 local terms energy: -454.999631 where: bonds (distance) C4'-P energy: -89.813 bonds (distance) P-C4' energy: -86.039 flat angles C4'-P-C4' energy: -96.540 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -127.231 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: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1311.363736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.363736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.363736 (E_RNA) where: Base-Base interactions energy: -912.028 where: short stacking energy: -361.504 Base-Backbone interact. energy: -3.301 local terms energy: -396.035337 where: bonds (distance) C4'-P energy: -79.112 bonds (distance) P-C4' energy: -82.685 flat angles C4'-P-C4' energy: -85.253 flat angles P-C4'-P energy: -49.094 tors. eta vs tors. theta energy: -99.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1196.233429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.233429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.233429 (E_RNA) where: Base-Base interactions energy: -811.108 where: short stacking energy: -349.681 Base-Backbone interact. energy: -1.661 local terms energy: -383.463911 where: bonds (distance) C4'-P energy: -82.178 bonds (distance) P-C4' energy: -78.798 flat angles C4'-P-C4' energy: -81.803 flat angles P-C4'-P energy: -53.116 tors. eta vs tors. theta energy: -87.569 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: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -883.494705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.494705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.494705 (E_RNA) where: Base-Base interactions energy: -552.025 where: short stacking energy: -252.456 Base-Backbone interact. energy: 0.491 local terms energy: -331.959845 where: bonds (distance) C4'-P energy: -65.211 bonds (distance) P-C4' energy: -69.155 flat angles C4'-P-C4' energy: -88.805 flat angles P-C4'-P energy: -62.555 tors. eta vs tors. theta energy: -46.235 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: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -701.468708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.468708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.468708 (E_RNA) where: Base-Base interactions energy: -407.546 where: short stacking energy: -207.623 Base-Backbone interact. energy: -2.940 local terms energy: -290.982823 where: bonds (distance) C4'-P energy: -77.052 bonds (distance) P-C4' energy: -67.204 flat angles C4'-P-C4' energy: -77.521 flat angles P-C4'-P energy: -49.903 tors. eta vs tors. theta energy: -19.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -549.794563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.794563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.794563 (E_RNA) where: Base-Base interactions energy: -265.899 where: short stacking energy: -140.937 Base-Backbone interact. energy: -1.239 local terms energy: -282.656532 where: bonds (distance) C4'-P energy: -83.333 bonds (distance) P-C4' energy: -81.381 flat angles C4'-P-C4' energy: -70.900 flat angles P-C4'-P energy: -49.069 tors. eta vs tors. theta energy: 2.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -545.614176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.614176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.614176 (E_RNA) where: Base-Base interactions energy: -283.506 where: short stacking energy: -160.831 Base-Backbone interact. energy: -2.788 local terms energy: -259.320100 where: bonds (distance) C4'-P energy: -79.423 bonds (distance) P-C4' energy: -80.044 flat angles C4'-P-C4' energy: -66.125 flat angles P-C4'-P energy: -27.178 tors. eta vs tors. theta energy: -6.549 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: 325 Temperature: 0.900000 Total energy: -1628.365510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.365510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.365510 (E_RNA) where: Base-Base interactions energy: -1132.317 where: short stacking energy: -472.566 Base-Backbone interact. energy: -1.662 local terms energy: -494.387050 where: bonds (distance) C4'-P energy: -84.247 bonds (distance) P-C4' energy: -88.362 flat angles C4'-P-C4' energy: -108.886 flat angles P-C4'-P energy: -67.540 tors. eta vs tors. theta energy: -145.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1491.756245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.756245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.756245 (E_RNA) where: Base-Base interactions energy: -1015.229 where: short stacking energy: -396.386 Base-Backbone interact. energy: -2.419 local terms energy: -474.108702 where: bonds (distance) C4'-P energy: -90.904 bonds (distance) P-C4' energy: -94.332 flat angles C4'-P-C4' energy: -103.093 flat angles P-C4'-P energy: -64.472 tors. eta vs tors. theta energy: -121.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1453.280473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.280473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.280473 (E_RNA) where: Base-Base interactions energy: -973.224 where: short stacking energy: -428.624 Base-Backbone interact. energy: -0.727 local terms energy: -479.329030 where: bonds (distance) C4'-P energy: -83.661 bonds (distance) P-C4' energy: -88.337 flat angles C4'-P-C4' energy: -99.202 flat angles P-C4'-P energy: -71.249 tors. eta vs tors. theta energy: -136.880 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: 4 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1431.522518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.522518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.522518 (E_RNA) where: Base-Base interactions energy: -991.909 where: short stacking energy: -407.069 Base-Backbone interact. energy: 2.391 local terms energy: -442.004603 where: bonds (distance) C4'-P energy: -90.884 bonds (distance) P-C4' energy: -76.508 flat angles C4'-P-C4' energy: -99.726 flat angles P-C4'-P energy: -55.752 tors. eta vs tors. theta energy: -119.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1330.013890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.013890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.013890 (E_RNA) where: Base-Base interactions energy: -919.807 where: short stacking energy: -358.040 Base-Backbone interact. energy: -3.306 local terms energy: -406.901495 where: bonds (distance) C4'-P energy: -72.957 bonds (distance) P-C4' energy: -88.818 flat angles C4'-P-C4' energy: -86.701 flat angles P-C4'-P energy: -51.063 tors. eta vs tors. theta energy: -107.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1153.386914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.386914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.386914 (E_RNA) where: Base-Base interactions energy: -724.062 where: short stacking energy: -320.076 Base-Backbone interact. energy: -2.100 local terms energy: -427.224950 where: bonds (distance) C4'-P energy: -84.086 bonds (distance) P-C4' energy: -90.770 flat angles C4'-P-C4' energy: -84.450 flat angles P-C4'-P energy: -70.859 tors. eta vs tors. theta energy: -97.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -919.329861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.329861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.329861 (E_RNA) where: Base-Base interactions energy: -584.534 where: short stacking energy: -262.525 Base-Backbone interact. energy: 1.004 local terms energy: -335.799840 where: bonds (distance) C4'-P energy: -81.230 bonds (distance) P-C4' energy: -82.863 flat angles C4'-P-C4' energy: -80.026 flat angles P-C4'-P energy: -36.880 tors. eta vs tors. theta energy: -54.801 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: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -702.753537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.753537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.753537 (E_RNA) where: Base-Base interactions energy: -400.423 where: short stacking energy: -199.788 Base-Backbone interact. energy: -2.912 local terms energy: -299.418708 where: bonds (distance) C4'-P energy: -62.570 bonds (distance) P-C4' energy: -92.621 flat angles C4'-P-C4' energy: -67.339 flat angles P-C4'-P energy: -50.572 tors. eta vs tors. theta energy: -26.316 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: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -547.622826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.622826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.622826 (E_RNA) where: Base-Base interactions energy: -274.973 where: short stacking energy: -144.387 Base-Backbone interact. energy: -0.921 local terms energy: -271.728785 where: bonds (distance) C4'-P energy: -73.199 bonds (distance) P-C4' energy: -79.690 flat angles C4'-P-C4' energy: -71.228 flat angles P-C4'-P energy: -41.519 tors. eta vs tors. theta energy: -6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -530.869464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.869464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.869464 (E_RNA) where: Base-Base interactions energy: -282.770 where: short stacking energy: -136.792 Base-Backbone interact. energy: 2.059 local terms energy: -250.158965 where: bonds (distance) C4'-P energy: -68.322 bonds (distance) P-C4' energy: -80.625 flat angles C4'-P-C4' energy: -70.896 flat angles P-C4'-P energy: -34.625 tors. eta vs tors. theta energy: 4.309 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: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1641.756511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.756511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.756511 (E_RNA) where: Base-Base interactions energy: -1131.673 where: short stacking energy: -484.545 Base-Backbone interact. energy: 0.923 local terms energy: -511.006946 where: bonds (distance) C4'-P energy: -92.434 bonds (distance) P-C4' energy: -95.764 flat angles C4'-P-C4' energy: -105.866 flat angles P-C4'-P energy: -67.436 tors. eta vs tors. theta energy: -149.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1496.449658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.449658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.449658 (E_RNA) where: Base-Base interactions energy: -1032.940 where: short stacking energy: -417.128 Base-Backbone interact. energy: 0.862 local terms energy: -464.371485 where: bonds (distance) C4'-P energy: -94.479 bonds (distance) P-C4' energy: -85.622 flat angles C4'-P-C4' energy: -102.032 flat angles P-C4'-P energy: -65.187 tors. eta vs tors. theta energy: -117.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1483.396800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.396800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.396800 (E_RNA) where: Base-Base interactions energy: -978.835 where: short stacking energy: -428.891 Base-Backbone interact. energy: 0.283 local terms energy: -504.844462 where: bonds (distance) C4'-P energy: -90.473 bonds (distance) P-C4' energy: -96.945 flat angles C4'-P-C4' energy: -105.946 flat angles P-C4'-P energy: -68.571 tors. eta vs tors. theta energy: -142.910 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: 4 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1438.519003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.519003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.519003 (E_RNA) where: Base-Base interactions energy: -977.143 where: short stacking energy: -430.895 Base-Backbone interact. energy: -1.571 local terms energy: -459.805337 where: bonds (distance) C4'-P energy: -79.899 bonds (distance) P-C4' energy: -90.754 flat angles C4'-P-C4' energy: -93.491 flat angles P-C4'-P energy: -59.176 tors. eta vs tors. theta energy: -136.485 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: 326 Temperature: 1.100000 Total energy: -1311.734462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.734462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.734462 (E_RNA) where: Base-Base interactions energy: -910.489 where: short stacking energy: -374.176 Base-Backbone interact. energy: -1.420 local terms energy: -399.825288 where: bonds (distance) C4'-P energy: -78.337 bonds (distance) P-C4' energy: -61.204 flat angles C4'-P-C4' energy: -76.949 flat angles P-C4'-P energy: -67.829 tors. eta vs tors. theta energy: -115.506 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: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1141.844092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.844092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.844092 (E_RNA) where: Base-Base interactions energy: -744.280 where: short stacking energy: -331.154 Base-Backbone interact. energy: 1.003 local terms energy: -398.567237 where: bonds (distance) C4'-P energy: -78.587 bonds (distance) P-C4' energy: -86.051 flat angles C4'-P-C4' energy: -82.145 flat angles P-C4'-P energy: -61.437 tors. eta vs tors. theta energy: -90.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -995.699275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.699275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.699275 (E_RNA) where: Base-Base interactions energy: -665.880 where: short stacking energy: -299.143 Base-Backbone interact. energy: -0.889 local terms energy: -328.930882 where: bonds (distance) C4'-P energy: -69.374 bonds (distance) P-C4' energy: -59.143 flat angles C4'-P-C4' energy: -73.237 flat angles P-C4'-P energy: -49.335 tors. eta vs tors. theta energy: -77.842 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: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -686.221991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.221991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.221991 (E_RNA) where: Base-Base interactions energy: -388.245 where: short stacking energy: -203.457 Base-Backbone interact. energy: 0.984 local terms energy: -298.960966 where: bonds (distance) C4'-P energy: -75.161 bonds (distance) P-C4' energy: -83.674 flat angles C4'-P-C4' energy: -68.044 flat angles P-C4'-P energy: -41.717 tors. eta vs tors. theta energy: -30.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -536.310815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.310815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.310815 (E_RNA) where: Base-Base interactions energy: -260.633 where: short stacking energy: -146.307 Base-Backbone interact. energy: 0.903 local terms energy: -276.580556 where: bonds (distance) C4'-P energy: -85.458 bonds (distance) P-C4' energy: -65.267 flat angles C4'-P-C4' energy: -78.166 flat angles P-C4'-P energy: -44.705 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -515.679757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.679757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.679757 (E_RNA) where: Base-Base interactions energy: -243.543 where: short stacking energy: -129.128 Base-Backbone interact. energy: -6.545 local terms energy: -265.591772 where: bonds (distance) C4'-P energy: -65.975 bonds (distance) P-C4' energy: -97.833 flat angles C4'-P-C4' energy: -71.072 flat angles P-C4'-P energy: -36.342 tors. eta vs tors. theta energy: 5.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1596.615761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.615761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.615761 (E_RNA) where: Base-Base interactions energy: -1113.334 where: short stacking energy: -461.038 Base-Backbone interact. energy: 0.937 local terms energy: -484.219099 where: bonds (distance) C4'-P energy: -87.033 bonds (distance) P-C4' energy: -92.607 flat angles C4'-P-C4' energy: -95.814 flat angles P-C4'-P energy: -73.039 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: 2, replica: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1519.202138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.202138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.202138 (E_RNA) where: Base-Base interactions energy: -1045.875 where: short stacking energy: -439.590 Base-Backbone interact. energy: 3.370 local terms energy: -476.696760 where: bonds (distance) C4'-P energy: -92.216 bonds (distance) P-C4' energy: -83.196 flat angles C4'-P-C4' energy: -96.825 flat angles P-C4'-P energy: -78.274 tors. eta vs tors. theta energy: -126.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1497.056590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.056590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.056590 (E_RNA) where: Base-Base interactions energy: -1035.212 where: short stacking energy: -441.088 Base-Backbone interact. energy: -1.170 local terms energy: -460.674802 where: bonds (distance) C4'-P energy: -84.889 bonds (distance) P-C4' energy: -85.724 flat angles C4'-P-C4' energy: -94.169 flat angles P-C4'-P energy: -59.822 tors. eta vs tors. theta energy: -136.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1428.651787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.651787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.651787 (E_RNA) where: Base-Base interactions energy: -986.106 where: short stacking energy: -424.573 Base-Backbone interact. energy: -2.712 local terms energy: -439.833418 where: bonds (distance) C4'-P energy: -81.407 bonds (distance) P-C4' energy: -81.415 flat angles C4'-P-C4' energy: -92.048 flat angles P-C4'-P energy: -56.388 tors. eta vs tors. theta energy: -128.576 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: 3 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1332.948344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.948344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.948344 (E_RNA) where: Base-Base interactions energy: -911.561 where: short stacking energy: -376.542 Base-Backbone interact. energy: 0.785 local terms energy: -422.171613 where: bonds (distance) C4'-P energy: -89.138 bonds (distance) P-C4' energy: -81.438 flat angles C4'-P-C4' energy: -89.679 flat angles P-C4'-P energy: -52.342 tors. eta vs tors. theta energy: -109.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1141.762356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.762356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.762356 (E_RNA) where: Base-Base interactions energy: -738.340 where: short stacking energy: -342.936 Base-Backbone interact. energy: 0.490 local terms energy: -403.912839 where: bonds (distance) C4'-P energy: -81.137 bonds (distance) P-C4' energy: -80.289 flat angles C4'-P-C4' energy: -88.757 flat angles P-C4'-P energy: -54.955 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: 7, replica: 1 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1005.546639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.546639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.546639 (E_RNA) where: Base-Base interactions energy: -627.374 where: short stacking energy: -303.912 Base-Backbone interact. energy: 0.944 local terms energy: -379.116289 where: bonds (distance) C4'-P energy: -84.353 bonds (distance) P-C4' energy: -74.305 flat angles C4'-P-C4' energy: -84.008 flat angles P-C4'-P energy: -56.575 tors. eta vs tors. theta energy: -79.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -688.625043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.625043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.625043 (E_RNA) where: Base-Base interactions energy: -408.267 where: short stacking energy: -197.592 Base-Backbone interact. energy: -0.501 local terms energy: -279.856649 where: bonds (distance) C4'-P energy: -84.645 bonds (distance) P-C4' energy: -64.080 flat angles C4'-P-C4' energy: -78.775 flat angles P-C4'-P energy: -40.114 tors. eta vs tors. theta energy: -12.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -534.624896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.624896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.624896 (E_RNA) where: Base-Base interactions energy: -281.173 where: short stacking energy: -154.149 Base-Backbone interact. energy: -0.760 local terms energy: -252.692304 where: bonds (distance) C4'-P energy: -65.046 bonds (distance) P-C4' energy: -82.570 flat angles C4'-P-C4' energy: -65.192 flat angles P-C4'-P energy: -37.143 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -505.659437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.659437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.659437 (E_RNA) where: Base-Base interactions energy: -246.976 where: short stacking energy: -138.289 Base-Backbone interact. energy: -1.071 local terms energy: -257.611832 where: bonds (distance) C4'-P energy: -65.978 bonds (distance) P-C4' energy: -86.116 flat angles C4'-P-C4' energy: -73.080 flat angles P-C4'-P energy: -39.589 tors. eta vs tors. theta energy: 7.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1598.715413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.715413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.715413 (E_RNA) where: Base-Base interactions energy: -1092.248 where: short stacking energy: -438.755 Base-Backbone interact. energy: -0.394 local terms energy: -506.073752 where: bonds (distance) C4'-P energy: -95.265 bonds (distance) P-C4' energy: -98.204 flat angles C4'-P-C4' energy: -109.338 flat angles P-C4'-P energy: -65.403 tors. eta vs tors. theta energy: -137.863 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: 328 Temperature: 0.950000 Total energy: -1530.231219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.231219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.231219 (E_RNA) where: Base-Base interactions energy: -1048.391 where: short stacking energy: -443.373 Base-Backbone interact. energy: 0.461 local terms energy: -482.301307 where: bonds (distance) C4'-P energy: -97.098 bonds (distance) P-C4' energy: -82.719 flat angles C4'-P-C4' energy: -104.075 flat angles P-C4'-P energy: -67.621 tors. eta vs tors. theta energy: -130.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1487.837084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.837084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.837084 (E_RNA) where: Base-Base interactions energy: -1010.153 where: short stacking energy: -431.413 Base-Backbone interact. energy: 0.082 local terms energy: -477.766120 where: bonds (distance) C4'-P energy: -79.619 bonds (distance) P-C4' energy: -85.318 flat angles C4'-P-C4' energy: -93.636 flat angles P-C4'-P energy: -78.571 tors. eta vs tors. theta energy: -140.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1439.903594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.903594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.903594 (E_RNA) where: Base-Base interactions energy: -994.066 where: short stacking energy: -425.322 Base-Backbone interact. energy: -0.833 local terms energy: -445.004543 where: bonds (distance) C4'-P energy: -82.020 bonds (distance) P-C4' energy: -77.603 flat angles C4'-P-C4' energy: -93.086 flat angles P-C4'-P energy: -61.639 tors. eta vs tors. theta energy: -130.656 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: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1295.443031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.443031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.443031 (E_RNA) where: Base-Base interactions energy: -869.516 where: short stacking energy: -376.888 Base-Backbone interact. energy: 2.282 local terms energy: -428.208704 where: bonds (distance) C4'-P energy: -88.705 bonds (distance) P-C4' energy: -89.569 flat angles C4'-P-C4' energy: -87.626 flat angles P-C4'-P energy: -56.224 tors. eta vs tors. theta energy: -106.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1181.627164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.627164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.627164 (E_RNA) where: Base-Base interactions energy: -778.284 where: short stacking energy: -342.609 Base-Backbone interact. energy: -1.301 local terms energy: -402.042391 where: bonds (distance) C4'-P energy: -69.516 bonds (distance) P-C4' energy: -80.349 flat angles C4'-P-C4' energy: -84.589 flat angles P-C4'-P energy: -64.469 tors. eta vs tors. theta energy: -103.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -940.272711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.272711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.272711 (E_RNA) where: Base-Base interactions energy: -600.964 where: short stacking energy: -279.671 Base-Backbone interact. energy: -1.540 local terms energy: -337.768061 where: bonds (distance) C4'-P energy: -81.403 bonds (distance) P-C4' energy: -80.142 flat angles C4'-P-C4' energy: -65.992 flat angles P-C4'-P energy: -50.158 tors. eta vs tors. theta energy: -60.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -714.699690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.699690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.699690 (E_RNA) where: Base-Base interactions energy: -398.157 where: short stacking energy: -204.489 Base-Backbone interact. energy: -1.497 local terms energy: -315.046494 where: bonds (distance) C4'-P energy: -85.911 bonds (distance) P-C4' energy: -81.952 flat angles C4'-P-C4' energy: -77.602 flat angles P-C4'-P energy: -41.603 tors. eta vs tors. theta energy: -27.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -532.024185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.024185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.024185 (E_RNA) where: Base-Base interactions energy: -267.205 where: short stacking energy: -147.011 Base-Backbone interact. energy: 1.611 local terms energy: -266.429982 where: bonds (distance) C4'-P energy: -71.957 bonds (distance) P-C4' energy: -78.901 flat angles C4'-P-C4' energy: -51.740 flat angles P-C4'-P energy: -51.962 tors. eta vs tors. theta energy: -11.871 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: 10, replica: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -529.076741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.076741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.076741 (E_RNA) where: Base-Base interactions energy: -253.310 where: short stacking energy: -119.776 Base-Backbone interact. energy: 5.649 local terms energy: -281.415687 where: bonds (distance) C4'-P energy: -82.729 bonds (distance) P-C4' energy: -78.753 flat angles C4'-P-C4' energy: -77.488 flat angles P-C4'-P energy: -38.073 tors. eta vs tors. theta energy: -4.373 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: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1614.611181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.611181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.611181 (E_RNA) where: Base-Base interactions energy: -1116.894 where: short stacking energy: -476.909 Base-Backbone interact. energy: -2.741 local terms energy: -494.975643 where: bonds (distance) C4'-P energy: -90.419 bonds (distance) P-C4' energy: -90.637 flat angles C4'-P-C4' energy: -106.732 flat angles P-C4'-P energy: -61.876 tors. eta vs tors. theta energy: -145.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1535.762994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.762994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.762994 (E_RNA) where: Base-Base interactions energy: -1043.610 where: short stacking energy: -420.540 Base-Backbone interact. energy: 3.163 local terms energy: -495.316614 where: bonds (distance) C4'-P energy: -94.269 bonds (distance) P-C4' energy: -90.961 flat angles C4'-P-C4' energy: -106.307 flat angles P-C4'-P energy: -75.089 tors. eta vs tors. theta energy: -128.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1484.108771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.108771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.108771 (E_RNA) where: Base-Base interactions energy: -1025.975 where: short stacking energy: -426.053 Base-Backbone interact. energy: -0.606 local terms energy: -457.528163 where: bonds (distance) C4'-P energy: -81.815 bonds (distance) P-C4' energy: -78.855 flat angles C4'-P-C4' energy: -100.460 flat angles P-C4'-P energy: -64.117 tors. eta vs tors. theta energy: -132.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1420.496294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.496294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.496294 (E_RNA) where: Base-Base interactions energy: -970.978 where: short stacking energy: -398.353 Base-Backbone interact. energy: -2.465 local terms energy: -447.053493 where: bonds (distance) C4'-P energy: -78.541 bonds (distance) P-C4' energy: -85.642 flat angles C4'-P-C4' energy: -88.917 flat angles P-C4'-P energy: -67.164 tors. eta vs tors. theta energy: -126.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1296.765589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.765589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.765589 (E_RNA) where: Base-Base interactions energy: -866.794 where: short stacking energy: -357.298 Base-Backbone interact. energy: -1.817 local terms energy: -428.154337 where: bonds (distance) C4'-P energy: -82.698 bonds (distance) P-C4' energy: -82.684 flat angles C4'-P-C4' energy: -88.834 flat angles P-C4'-P energy: -67.864 tors. eta vs tors. theta energy: -106.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1173.916889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.916889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.916889 (E_RNA) where: Base-Base interactions energy: -788.060 where: short stacking energy: -327.378 Base-Backbone interact. energy: 0.055 local terms energy: -385.912105 where: bonds (distance) C4'-P energy: -65.662 bonds (distance) P-C4' energy: -56.467 flat angles C4'-P-C4' energy: -96.655 flat angles P-C4'-P energy: -70.662 tors. eta vs tors. theta energy: -96.466 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: 7, replica: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -948.570724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.570724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.570724 (E_RNA) where: Base-Base interactions energy: -591.631 where: short stacking energy: -281.423 Base-Backbone interact. energy: 2.094 local terms energy: -359.033354 where: bonds (distance) C4'-P energy: -77.710 bonds (distance) P-C4' energy: -81.616 flat angles C4'-P-C4' energy: -81.554 flat angles P-C4'-P energy: -55.061 tors. eta vs tors. theta energy: -63.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -769.921588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.921588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.921588 (E_RNA) where: Base-Base interactions energy: -453.792 where: short stacking energy: -217.632 Base-Backbone interact. energy: -1.810 local terms energy: -314.320336 where: bonds (distance) C4'-P energy: -75.460 bonds (distance) P-C4' energy: -71.235 flat angles C4'-P-C4' energy: -71.254 flat angles P-C4'-P energy: -55.471 tors. eta vs tors. theta energy: -40.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -549.277438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.277438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.277438 (E_RNA) where: Base-Base interactions energy: -276.756 where: short stacking energy: -158.456 Base-Backbone interact. energy: 0.544 local terms energy: -273.065668 where: bonds (distance) C4'-P energy: -82.134 bonds (distance) P-C4' energy: -62.209 flat angles C4'-P-C4' energy: -59.784 flat angles P-C4'-P energy: -57.702 tors. eta vs tors. theta energy: -11.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -535.754601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.754601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.754601 (E_RNA) where: Base-Base interactions energy: -270.613 where: short stacking energy: -158.985 Base-Backbone interact. energy: 1.565 local terms energy: -266.707063 where: bonds (distance) C4'-P energy: -68.247 bonds (distance) P-C4' energy: -75.942 flat angles C4'-P-C4' energy: -73.541 flat angles P-C4'-P energy: -38.046 tors. eta vs tors. theta energy: -10.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1619.138935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.138935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.138935 (E_RNA) where: Base-Base interactions energy: -1119.063 where: short stacking energy: -442.803 Base-Backbone interact. energy: -3.225 local terms energy: -496.850943 where: bonds (distance) C4'-P energy: -87.793 bonds (distance) P-C4' energy: -86.241 flat angles C4'-P-C4' energy: -106.155 flat angles P-C4'-P energy: -77.828 tors. eta vs tors. theta energy: -138.835 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: 330 Temperature: 0.950000 Total energy: -1500.086575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.086575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.086575 (E_RNA) where: Base-Base interactions energy: -1042.018 where: short stacking energy: -420.581 Base-Backbone interact. energy: -3.297 local terms energy: -454.771691 where: bonds (distance) C4'-P energy: -92.661 bonds (distance) P-C4' energy: -87.865 flat angles C4'-P-C4' energy: -91.191 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -111.400 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: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1512.983227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.983227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.983227 (E_RNA) where: Base-Base interactions energy: -1037.672 where: short stacking energy: -442.555 Base-Backbone interact. energy: -1.026 local terms energy: -474.285565 where: bonds (distance) C4'-P energy: -88.561 bonds (distance) P-C4' energy: -86.561 flat angles C4'-P-C4' energy: -106.673 flat angles P-C4'-P energy: -58.438 tors. eta vs tors. theta energy: -134.052 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: 4 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1435.560171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.560171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.560171 (E_RNA) where: Base-Base interactions energy: -961.425 where: short stacking energy: -397.006 Base-Backbone interact. energy: -3.114 local terms energy: -471.021536 where: bonds (distance) C4'-P energy: -95.504 bonds (distance) P-C4' energy: -81.908 flat angles C4'-P-C4' energy: -102.870 flat angles P-C4'-P energy: -72.689 tors. eta vs tors. theta energy: -118.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1289.415147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.415147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.415147 (E_RNA) where: Base-Base interactions energy: -876.957 where: short stacking energy: -356.123 Base-Backbone interact. energy: -1.044 local terms energy: -411.414758 where: bonds (distance) C4'-P energy: -80.999 bonds (distance) P-C4' energy: -90.627 flat angles C4'-P-C4' energy: -82.500 flat angles P-C4'-P energy: -57.267 tors. eta vs tors. theta energy: -100.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1168.587577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.587577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.587577 (E_RNA) where: Base-Base interactions energy: -781.112 where: short stacking energy: -340.881 Base-Backbone interact. energy: -0.623 local terms energy: -386.852150 where: bonds (distance) C4'-P energy: -90.650 bonds (distance) P-C4' energy: -70.392 flat angles C4'-P-C4' energy: -75.745 flat angles P-C4'-P energy: -61.753 tors. eta vs tors. theta energy: -88.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -900.088280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.088280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.088280 (E_RNA) where: Base-Base interactions energy: -566.814 where: short stacking energy: -252.592 Base-Backbone interact. energy: 0.766 local terms energy: -334.040552 where: bonds (distance) C4'-P energy: -66.738 bonds (distance) P-C4' energy: -84.557 flat angles C4'-P-C4' energy: -89.144 flat angles P-C4'-P energy: -38.607 tors. eta vs tors. theta energy: -54.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -752.812918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.812918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.812918 (E_RNA) where: Base-Base interactions energy: -424.514 where: short stacking energy: -214.024 Base-Backbone interact. energy: 0.444 local terms energy: -328.742780 where: bonds (distance) C4'-P energy: -71.712 bonds (distance) P-C4' energy: -90.035 flat angles C4'-P-C4' energy: -67.360 flat angles P-C4'-P energy: -61.535 tors. eta vs tors. theta energy: -38.102 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: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -574.570216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.570216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.570216 (E_RNA) where: Base-Base interactions energy: -297.521 where: short stacking energy: -163.547 Base-Backbone interact. energy: 3.084 local terms energy: -280.133799 where: bonds (distance) C4'-P energy: -59.199 bonds (distance) P-C4' energy: -87.125 flat angles C4'-P-C4' energy: -75.353 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: -11.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -517.193604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.193604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.193604 (E_RNA) where: Base-Base interactions energy: -290.482 where: short stacking energy: -139.719 Base-Backbone interact. energy: -0.937 local terms energy: -225.775001 where: bonds (distance) C4'-P energy: -69.466 bonds (distance) P-C4' energy: -76.303 flat angles C4'-P-C4' energy: -54.704 flat angles P-C4'-P energy: -23.282 tors. eta vs tors. theta energy: -2.020 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: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1617.104315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.104315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.104315 (E_RNA) where: Base-Base interactions energy: -1100.733 where: short stacking energy: -446.675 Base-Backbone interact. energy: -2.662 local terms energy: -513.709311 where: bonds (distance) C4'-P energy: -87.980 bonds (distance) P-C4' energy: -103.244 flat angles C4'-P-C4' energy: -114.379 flat angles P-C4'-P energy: -71.794 tors. eta vs tors. theta energy: -136.313 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: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1516.238404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.238404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.238404 (E_RNA) where: Base-Base interactions energy: -1048.488 where: short stacking energy: -422.313 Base-Backbone interact. energy: 0.768 local terms energy: -468.518411 where: bonds (distance) C4'-P energy: -85.401 bonds (distance) P-C4' energy: -92.718 flat angles C4'-P-C4' energy: -108.341 flat angles P-C4'-P energy: -69.413 tors. eta vs tors. theta energy: -112.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1522.865205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.865205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.865205 (E_RNA) where: Base-Base interactions energy: -1043.370 where: short stacking energy: -439.314 Base-Backbone interact. energy: -0.575 local terms energy: -478.920419 where: bonds (distance) C4'-P energy: -87.739 bonds (distance) P-C4' energy: -90.392 flat angles C4'-P-C4' energy: -99.184 flat angles P-C4'-P energy: -64.048 tors. eta vs tors. theta energy: -137.557 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: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1409.464579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.464579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.464579 (E_RNA) where: Base-Base interactions energy: -957.735 where: short stacking energy: -413.912 Base-Backbone interact. energy: -1.913 local terms energy: -449.816535 where: bonds (distance) C4'-P energy: -88.896 bonds (distance) P-C4' energy: -83.876 flat angles C4'-P-C4' energy: -93.121 flat angles P-C4'-P energy: -59.533 tors. eta vs tors. theta energy: -124.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1216.424678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.424678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.424678 (E_RNA) where: Base-Base interactions energy: -823.369 where: short stacking energy: -338.940 Base-Backbone interact. energy: -2.969 local terms energy: -390.086638 where: bonds (distance) C4'-P energy: -64.924 bonds (distance) P-C4' energy: -83.139 flat angles C4'-P-C4' energy: -82.425 flat angles P-C4'-P energy: -57.996 tors. eta vs tors. theta energy: -101.602 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: 331 Temperature: 1.150000 Total energy: -1143.787746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.787746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.787746 (E_RNA) where: Base-Base interactions energy: -740.052 where: short stacking energy: -316.603 Base-Backbone interact. energy: 1.003 local terms energy: -404.738564 where: bonds (distance) C4'-P energy: -83.498 bonds (distance) P-C4' energy: -86.750 flat angles C4'-P-C4' energy: -98.040 flat angles P-C4'-P energy: -52.263 tors. eta vs tors. theta energy: -84.189 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: 7, replica: 1 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -886.074767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.074767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.074767 (E_RNA) where: Base-Base interactions energy: -515.620 where: short stacking energy: -253.703 Base-Backbone interact. energy: 0.151 local terms energy: -370.606390 where: bonds (distance) C4'-P energy: -78.240 bonds (distance) P-C4' energy: -87.246 flat angles C4'-P-C4' energy: -89.163 flat angles P-C4'-P energy: -53.151 tors. eta vs tors. theta energy: -62.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -767.429998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.429998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.429998 (E_RNA) where: Base-Base interactions energy: -464.784 where: short stacking energy: -227.473 Base-Backbone interact. energy: 3.222 local terms energy: -305.868906 where: bonds (distance) C4'-P energy: -72.231 bonds (distance) P-C4' energy: -82.947 flat angles C4'-P-C4' energy: -73.377 flat angles P-C4'-P energy: -46.765 tors. eta vs tors. theta energy: -30.549 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: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -593.530399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.530399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.530399 (E_RNA) where: Base-Base interactions energy: -325.607 where: short stacking energy: -164.174 Base-Backbone interact. energy: 2.303 local terms energy: -270.225888 where: bonds (distance) C4'-P energy: -78.074 bonds (distance) P-C4' energy: -77.959 flat angles C4'-P-C4' energy: -66.326 flat angles P-C4'-P energy: -42.438 tors. eta vs tors. theta energy: -5.428 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: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -521.739280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.739280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.739280 (E_RNA) where: Base-Base interactions energy: -258.583 where: short stacking energy: -143.690 Base-Backbone interact. energy: 3.052 local terms energy: -266.208359 where: bonds (distance) C4'-P energy: -80.230 bonds (distance) P-C4' energy: -73.295 flat angles C4'-P-C4' energy: -74.887 flat angles P-C4'-P energy: -30.744 tors. eta vs tors. theta energy: -7.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1636.694952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.694952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.694952 (E_RNA) where: Base-Base interactions energy: -1143.743 where: short stacking energy: -455.477 Base-Backbone interact. energy: -1.157 local terms energy: -491.794205 where: bonds (distance) C4'-P energy: -87.086 bonds (distance) P-C4' energy: -85.985 flat angles C4'-P-C4' energy: -107.353 flat angles P-C4'-P energy: -71.497 tors. eta vs tors. theta energy: -139.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1531.475552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.475552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.475552 (E_RNA) where: Base-Base interactions energy: -1053.520 where: short stacking energy: -430.313 Base-Backbone interact. energy: -3.348 local terms energy: -474.607866 where: bonds (distance) C4'-P energy: -92.228 bonds (distance) P-C4' energy: -90.033 flat angles C4'-P-C4' energy: -101.369 flat angles P-C4'-P energy: -67.335 tors. eta vs tors. theta energy: -123.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1511.486072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.486072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.486072 (E_RNA) where: Base-Base interactions energy: -1046.447 where: short stacking energy: -447.813 Base-Backbone interact. energy: -1.354 local terms energy: -463.685406 where: bonds (distance) C4'-P energy: -77.983 bonds (distance) P-C4' energy: -82.782 flat angles C4'-P-C4' energy: -100.053 flat angles P-C4'-P energy: -64.585 tors. eta vs tors. theta energy: -138.283 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: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1420.199662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.199662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.199662 (E_RNA) where: Base-Base interactions energy: -975.411 where: short stacking energy: -402.037 Base-Backbone interact. energy: -1.477 local terms energy: -443.312072 where: bonds (distance) C4'-P energy: -83.320 bonds (distance) P-C4' energy: -73.054 flat angles C4'-P-C4' energy: -93.453 flat angles P-C4'-P energy: -72.334 tors. eta vs tors. theta energy: -121.151 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: 3 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1294.555862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.555862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.555862 (E_RNA) where: Base-Base interactions energy: -864.106 where: short stacking energy: -358.677 Base-Backbone interact. energy: -2.217 local terms energy: -428.232559 where: bonds (distance) C4'-P energy: -80.413 bonds (distance) P-C4' energy: -90.981 flat angles C4'-P-C4' energy: -106.664 flat angles P-C4'-P energy: -59.972 tors. eta vs tors. theta energy: -90.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1183.274521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.274521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.274521 (E_RNA) where: Base-Base interactions energy: -776.184 where: short stacking energy: -315.916 Base-Backbone interact. energy: -0.931 local terms energy: -406.160194 where: bonds (distance) C4'-P energy: -65.561 bonds (distance) P-C4' energy: -93.101 flat angles C4'-P-C4' energy: -95.737 flat angles P-C4'-P energy: -57.365 tors. eta vs tors. theta energy: -94.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -882.756986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.756986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.756986 (E_RNA) where: Base-Base interactions energy: -538.082 where: short stacking energy: -268.776 Base-Backbone interact. energy: -1.525 local terms energy: -343.150188 where: bonds (distance) C4'-P energy: -56.792 bonds (distance) P-C4' energy: -77.085 flat angles C4'-P-C4' energy: -75.850 flat angles P-C4'-P energy: -65.820 tors. eta vs tors. theta energy: -67.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -739.454193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.454193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.454193 (E_RNA) where: Base-Base interactions energy: -447.523 where: short stacking energy: -205.576 Base-Backbone interact. energy: 4.311 local terms energy: -296.242631 where: bonds (distance) C4'-P energy: -75.509 bonds (distance) P-C4' energy: -71.931 flat angles C4'-P-C4' energy: -80.680 flat angles P-C4'-P energy: -49.232 tors. eta vs tors. theta energy: -18.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -588.738673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.738673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.738673 (E_RNA) where: Base-Base interactions energy: -338.775 where: short stacking energy: -175.356 Base-Backbone interact. energy: -1.017 local terms energy: -248.947201 where: bonds (distance) C4'-P energy: -75.578 bonds (distance) P-C4' energy: -72.770 flat angles C4'-P-C4' energy: -54.291 flat angles P-C4'-P energy: -36.544 tors. eta vs tors. theta energy: -9.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -551.197277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.197277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.197277 (E_RNA) where: Base-Base interactions energy: -276.611 where: short stacking energy: -150.265 Base-Backbone interact. energy: -1.650 local terms energy: -272.936632 where: bonds (distance) C4'-P energy: -67.423 bonds (distance) P-C4' energy: -84.539 flat angles C4'-P-C4' energy: -64.456 flat angles P-C4'-P energy: -47.772 tors. eta vs tors. theta energy: -8.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1652.593747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.593747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.593747 (E_RNA) where: Base-Base interactions energy: -1160.319 where: short stacking energy: -476.455 Base-Backbone interact. energy: -2.745 local terms energy: -489.530110 where: bonds (distance) C4'-P energy: -85.907 bonds (distance) P-C4' energy: -87.868 flat angles C4'-P-C4' energy: -105.356 flat angles P-C4'-P energy: -59.943 tors. eta vs tors. theta energy: -150.456 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: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1568.561668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.561668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.561668 (E_RNA) where: Base-Base interactions energy: -1064.301 where: short stacking energy: -449.759 Base-Backbone interact. energy: -1.701 local terms energy: -502.559710 where: bonds (distance) C4'-P energy: -76.540 bonds (distance) P-C4' energy: -104.528 flat angles C4'-P-C4' energy: -105.638 flat angles P-C4'-P energy: -65.609 tors. eta vs tors. theta energy: -150.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1493.364656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.364656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.364656 (E_RNA) where: Base-Base interactions energy: -1035.578 where: short stacking energy: -432.271 Base-Backbone interact. energy: -0.335 local terms energy: -457.450845 where: bonds (distance) C4'-P energy: -83.489 bonds (distance) P-C4' energy: -83.330 flat angles C4'-P-C4' energy: -102.407 flat angles P-C4'-P energy: -73.801 tors. eta vs tors. theta energy: -114.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1416.700966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.700966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.700966 (E_RNA) where: Base-Base interactions energy: -974.829 where: short stacking energy: -391.008 Base-Backbone interact. energy: 0.603 local terms energy: -442.474423 where: bonds (distance) C4'-P energy: -85.908 bonds (distance) P-C4' energy: -71.599 flat angles C4'-P-C4' energy: -93.188 flat angles P-C4'-P energy: -67.734 tors. eta vs tors. theta energy: -124.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1272.789294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.789294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.789294 (E_RNA) where: Base-Base interactions energy: -869.856 where: short stacking energy: -346.344 Base-Backbone interact. energy: -0.440 local terms energy: -402.494069 where: bonds (distance) C4'-P energy: -72.794 bonds (distance) P-C4' energy: -88.471 flat angles C4'-P-C4' energy: -95.467 flat angles P-C4'-P energy: -54.686 tors. eta vs tors. theta energy: -91.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1203.824837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.824837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.824837 (E_RNA) where: Base-Base interactions energy: -775.763 where: short stacking energy: -345.878 Base-Backbone interact. energy: 0.011 local terms energy: -428.071920 where: bonds (distance) C4'-P energy: -90.073 bonds (distance) P-C4' energy: -82.956 flat angles C4'-P-C4' energy: -94.883 flat angles P-C4'-P energy: -56.009 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: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -911.375714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.375714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.375714 (E_RNA) where: Base-Base interactions energy: -559.213 where: short stacking energy: -253.773 Base-Backbone interact. energy: -2.511 local terms energy: -349.651398 where: bonds (distance) C4'-P energy: -80.039 bonds (distance) P-C4' energy: -83.009 flat angles C4'-P-C4' energy: -71.860 flat angles P-C4'-P energy: -51.602 tors. eta vs tors. theta energy: -63.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -693.015691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.015691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.015691 (E_RNA) where: Base-Base interactions energy: -381.348 where: short stacking energy: -180.937 Base-Backbone interact. energy: 0.924 local terms energy: -312.591546 where: bonds (distance) C4'-P energy: -83.261 bonds (distance) P-C4' energy: -83.037 flat angles C4'-P-C4' energy: -68.077 flat angles P-C4'-P energy: -43.275 tors. eta vs tors. theta energy: -34.942 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: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -599.070339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.070339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.070339 (E_RNA) where: Base-Base interactions energy: -338.131 where: short stacking energy: -180.921 Base-Backbone interact. energy: 1.018 local terms energy: -261.957798 where: bonds (distance) C4'-P energy: -74.448 bonds (distance) P-C4' energy: -67.676 flat angles C4'-P-C4' energy: -64.429 flat angles P-C4'-P energy: -43.932 tors. eta vs tors. theta energy: -11.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -527.434771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.434771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.434771 (E_RNA) where: Base-Base interactions energy: -277.389 where: short stacking energy: -172.701 Base-Backbone interact. energy: -1.714 local terms energy: -248.332079 where: bonds (distance) C4'-P energy: -72.035 bonds (distance) P-C4' energy: -79.531 flat angles C4'-P-C4' energy: -61.454 flat angles P-C4'-P energy: -32.321 tors. eta vs tors. theta energy: -2.991 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: 334 Temperature: 0.900000 Total energy: -1625.123164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.123164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.123164 (E_RNA) where: Base-Base interactions energy: -1123.235 where: short stacking energy: -445.595 Base-Backbone interact. energy: -0.646 local terms energy: -501.242166 where: bonds (distance) C4'-P energy: -94.401 bonds (distance) P-C4' energy: -95.882 flat angles C4'-P-C4' energy: -100.147 flat angles P-C4'-P energy: -73.524 tors. eta vs tors. theta energy: -137.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1559.622608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.622608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.622608 (E_RNA) where: Base-Base interactions energy: -1053.243 where: short stacking energy: -452.355 Base-Backbone interact. energy: -1.505 local terms energy: -504.874512 where: bonds (distance) C4'-P energy: -85.870 bonds (distance) P-C4' energy: -95.151 flat angles C4'-P-C4' energy: -100.377 flat angles P-C4'-P energy: -78.152 tors. eta vs tors. theta energy: -145.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1480.146654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.146654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.146654 (E_RNA) where: Base-Base interactions energy: -1025.392 where: short stacking energy: -413.177 Base-Backbone interact. energy: 1.275 local terms energy: -456.029132 where: bonds (distance) C4'-P energy: -71.283 bonds (distance) P-C4' energy: -86.612 flat angles C4'-P-C4' energy: -98.493 flat angles P-C4'-P energy: -70.844 tors. eta vs tors. theta energy: -128.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1426.489284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.489284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.489284 (E_RNA) where: Base-Base interactions energy: -965.213 where: short stacking energy: -398.428 Base-Backbone interact. energy: 0.948 local terms energy: -462.224670 where: bonds (distance) C4'-P energy: -78.520 bonds (distance) P-C4' energy: -97.353 flat angles C4'-P-C4' energy: -100.060 flat angles P-C4'-P energy: -70.415 tors. eta vs tors. theta energy: -115.877 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: 3 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1326.987364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.987364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.987364 (E_RNA) where: Base-Base interactions energy: -877.855 where: short stacking energy: -371.223 Base-Backbone interact. energy: -1.759 local terms energy: -447.372939 where: bonds (distance) C4'-P energy: -89.957 bonds (distance) P-C4' energy: -81.245 flat angles C4'-P-C4' energy: -100.219 flat angles P-C4'-P energy: -59.472 tors. eta vs tors. theta energy: -116.480 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: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1215.513553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.513553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.513553 (E_RNA) where: Base-Base interactions energy: -810.508 where: short stacking energy: -368.426 Base-Backbone interact. energy: 0.869 local terms energy: -405.874605 where: bonds (distance) C4'-P energy: -64.350 bonds (distance) P-C4' energy: -79.118 flat angles C4'-P-C4' energy: -94.413 flat angles P-C4'-P energy: -58.169 tors. eta vs tors. theta energy: -109.824 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: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -949.803901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.803901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.803901 (E_RNA) where: Base-Base interactions energy: -584.009 where: short stacking energy: -283.266 Base-Backbone interact. energy: 1.798 local terms energy: -367.593440 where: bonds (distance) C4'-P energy: -75.042 bonds (distance) P-C4' energy: -85.924 flat angles C4'-P-C4' energy: -96.881 flat angles P-C4'-P energy: -44.414 tors. eta vs tors. theta energy: -65.332 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: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -692.287689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.287689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.287689 (E_RNA) where: Base-Base interactions energy: -393.851 where: short stacking energy: -213.460 Base-Backbone interact. energy: -2.730 local terms energy: -295.706756 where: bonds (distance) C4'-P energy: -78.180 bonds (distance) P-C4' energy: -81.108 flat angles C4'-P-C4' energy: -66.437 flat angles P-C4'-P energy: -45.875 tors. eta vs tors. theta energy: -24.106 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: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -583.663104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.663104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.663104 (E_RNA) where: Base-Base interactions energy: -316.680 where: short stacking energy: -166.360 Base-Backbone interact. energy: 5.054 local terms energy: -272.037526 where: bonds (distance) C4'-P energy: -81.194 bonds (distance) P-C4' energy: -70.959 flat angles C4'-P-C4' energy: -69.035 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: -13.300 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: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -527.131036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.131036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.131036 (E_RNA) where: Base-Base interactions energy: -267.785 where: short stacking energy: -164.416 Base-Backbone interact. energy: -2.477 local terms energy: -256.868947 where: bonds (distance) C4'-P energy: -66.904 bonds (distance) P-C4' energy: -74.473 flat angles C4'-P-C4' energy: -65.947 flat angles P-C4'-P energy: -38.913 tors. eta vs tors. theta energy: -10.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1614.800798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.800798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.800798 (E_RNA) where: Base-Base interactions energy: -1144.650 where: short stacking energy: -462.490 Base-Backbone interact. energy: -3.216 local terms energy: -466.934633 where: bonds (distance) C4'-P energy: -76.656 bonds (distance) P-C4' energy: -85.466 flat angles C4'-P-C4' energy: -99.793 flat angles P-C4'-P energy: -66.820 tors. eta vs tors. theta energy: -138.201 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: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1548.522239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.522239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.522239 (E_RNA) where: Base-Base interactions energy: -1070.590 where: short stacking energy: -440.309 Base-Backbone interact. energy: -1.005 local terms energy: -476.927525 where: bonds (distance) C4'-P energy: -87.187 bonds (distance) P-C4' energy: -85.796 flat angles C4'-P-C4' energy: -108.346 flat angles P-C4'-P energy: -71.721 tors. eta vs tors. theta energy: -123.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1503.831923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.831923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.831923 (E_RNA) where: Base-Base interactions energy: -1026.676 where: short stacking energy: -424.080 Base-Backbone interact. energy: -1.541 local terms energy: -475.614907 where: bonds (distance) C4'-P energy: -86.443 bonds (distance) P-C4' energy: -93.736 flat angles C4'-P-C4' energy: -106.243 flat angles P-C4'-P energy: -66.773 tors. eta vs tors. theta energy: -122.420 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: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1427.467355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.467355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.467355 (E_RNA) where: Base-Base interactions energy: -974.469 where: short stacking energy: -389.508 Base-Backbone interact. energy: -3.652 local terms energy: -449.345936 where: bonds (distance) C4'-P energy: -84.029 bonds (distance) P-C4' energy: -90.963 flat angles C4'-P-C4' energy: -88.826 flat angles P-C4'-P energy: -74.559 tors. eta vs tors. theta energy: -110.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1298.680932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.680932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.680932 (E_RNA) where: Base-Base interactions energy: -860.473 where: short stacking energy: -348.808 Base-Backbone interact. energy: -2.431 local terms energy: -435.777069 where: bonds (distance) C4'-P energy: -82.050 bonds (distance) P-C4' energy: -89.861 flat angles C4'-P-C4' energy: -98.900 flat angles P-C4'-P energy: -61.358 tors. eta vs tors. theta energy: -103.608 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: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1180.007310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.007310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.007310 (E_RNA) where: Base-Base interactions energy: -779.040 where: short stacking energy: -339.719 Base-Backbone interact. energy: -0.162 local terms energy: -400.805665 where: bonds (distance) C4'-P energy: -74.185 bonds (distance) P-C4' energy: -82.392 flat angles C4'-P-C4' energy: -90.371 flat angles P-C4'-P energy: -57.812 tors. eta vs tors. theta energy: -96.045 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: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -986.073153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.073153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.073153 (E_RNA) where: Base-Base interactions energy: -614.276 where: short stacking energy: -283.456 Base-Backbone interact. energy: 0.791 local terms energy: -372.588018 where: bonds (distance) C4'-P energy: -79.634 bonds (distance) P-C4' energy: -69.193 flat angles C4'-P-C4' energy: -90.693 flat angles P-C4'-P energy: -58.054 tors. eta vs tors. theta energy: -75.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -721.242459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.242459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.242459 (E_RNA) where: Base-Base interactions energy: -400.479 where: short stacking energy: -171.004 Base-Backbone interact. energy: 1.376 local terms energy: -322.139039 where: bonds (distance) C4'-P energy: -75.244 bonds (distance) P-C4' energy: -84.599 flat angles C4'-P-C4' energy: -95.145 flat angles P-C4'-P energy: -51.458 tors. eta vs tors. theta energy: -15.693 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: 335 Temperature: 1.300000 Total energy: -570.837199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.837199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.837199 (E_RNA) where: Base-Base interactions energy: -297.921 where: short stacking energy: -163.513 Base-Backbone interact. energy: -0.096 local terms energy: -272.820721 where: bonds (distance) C4'-P energy: -81.923 bonds (distance) P-C4' energy: -76.551 flat angles C4'-P-C4' energy: -60.056 flat angles P-C4'-P energy: -42.759 tors. eta vs tors. theta energy: -11.531 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: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -536.448534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.448534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.448534 (E_RNA) where: Base-Base interactions energy: -280.636 where: short stacking energy: -147.087 Base-Backbone interact. energy: 0.874 local terms energy: -256.686049 where: bonds (distance) C4'-P energy: -77.237 bonds (distance) P-C4' energy: -82.948 flat angles C4'-P-C4' energy: -55.563 flat angles P-C4'-P energy: -49.271 tors. eta vs tors. theta energy: 8.334 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: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1626.243082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.243082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.243082 (E_RNA) where: Base-Base interactions energy: -1154.090 where: short stacking energy: -471.957 Base-Backbone interact. energy: -3.325 local terms energy: -468.828104 where: bonds (distance) C4'-P energy: -84.699 bonds (distance) P-C4' energy: -82.399 flat angles C4'-P-C4' energy: -104.503 flat angles P-C4'-P energy: -60.936 tors. eta vs tors. theta energy: -136.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1551.165025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.165025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.165025 (E_RNA) where: Base-Base interactions energy: -1066.077 where: short stacking energy: -452.987 Base-Backbone interact. energy: -1.467 local terms energy: -483.620581 where: bonds (distance) C4'-P energy: -91.624 bonds (distance) P-C4' energy: -81.284 flat angles C4'-P-C4' energy: -99.756 flat angles P-C4'-P energy: -75.027 tors. eta vs tors. theta energy: -135.928 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: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1481.071774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.071774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.071774 (E_RNA) where: Base-Base interactions energy: -1011.238 where: short stacking energy: -434.144 Base-Backbone interact. energy: 1.181 local terms energy: -471.014734 where: bonds (distance) C4'-P energy: -93.672 bonds (distance) P-C4' energy: -89.385 flat angles C4'-P-C4' energy: -101.095 flat angles P-C4'-P energy: -63.690 tors. eta vs tors. theta energy: -123.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1430.858356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.858356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.858356 (E_RNA) where: Base-Base interactions energy: -985.518 where: short stacking energy: -427.746 Base-Backbone interact. energy: -3.068 local terms energy: -442.271922 where: bonds (distance) C4'-P energy: -84.800 bonds (distance) P-C4' energy: -77.000 flat angles C4'-P-C4' energy: -90.836 flat angles P-C4'-P energy: -66.013 tors. eta vs tors. theta energy: -123.624 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: 3 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1329.396262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.396262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.396262 (E_RNA) where: Base-Base interactions energy: -888.449 where: short stacking energy: -365.343 Base-Backbone interact. energy: -1.813 local terms energy: -439.134979 where: bonds (distance) C4'-P energy: -92.213 bonds (distance) P-C4' energy: -89.605 flat angles C4'-P-C4' energy: -101.031 flat angles P-C4'-P energy: -57.827 tors. eta vs tors. theta energy: -98.459 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: 6, replica: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1129.414038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.414038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.414038 (E_RNA) where: Base-Base interactions energy: -751.020 where: short stacking energy: -339.816 Base-Backbone interact. energy: -0.363 local terms energy: -378.031205 where: bonds (distance) C4'-P energy: -63.830 bonds (distance) P-C4' energy: -76.621 flat angles C4'-P-C4' energy: -91.040 flat angles P-C4'-P energy: -54.386 tors. eta vs tors. theta energy: -92.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1004.097202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.097202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.097202 (E_RNA) where: Base-Base interactions energy: -673.546 where: short stacking energy: -288.764 Base-Backbone interact. energy: 1.236 local terms energy: -331.787541 where: bonds (distance) C4'-P energy: -71.587 bonds (distance) P-C4' energy: -84.081 flat angles C4'-P-C4' energy: -69.953 flat angles P-C4'-P energy: -39.979 tors. eta vs tors. theta energy: -66.188 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: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -733.750373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.750373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.750373 (E_RNA) where: Base-Base interactions energy: -409.506 where: short stacking energy: -189.175 Base-Backbone interact. energy: -3.810 local terms energy: -320.434045 where: bonds (distance) C4'-P energy: -75.988 bonds (distance) P-C4' energy: -89.294 flat angles C4'-P-C4' energy: -84.846 flat angles P-C4'-P energy: -40.149 tors. eta vs tors. theta energy: -30.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -565.542877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.542877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.542877 (E_RNA) where: Base-Base interactions energy: -278.063 where: short stacking energy: -153.299 Base-Backbone interact. energy: -3.363 local terms energy: -284.117319 where: bonds (distance) C4'-P energy: -86.884 bonds (distance) P-C4' energy: -72.178 flat angles C4'-P-C4' energy: -60.650 flat angles P-C4'-P energy: -42.850 tors. eta vs tors. theta energy: -21.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -534.596954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.596954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.596954 (E_RNA) where: Base-Base interactions energy: -272.363 where: short stacking energy: -150.291 Base-Backbone interact. energy: 2.230 local terms energy: -264.464083 where: bonds (distance) C4'-P energy: -55.228 bonds (distance) P-C4' energy: -79.075 flat angles C4'-P-C4' energy: -71.073 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: -7.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1630.990846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.990846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.990846 (E_RNA) where: Base-Base interactions energy: -1131.898 where: short stacking energy: -448.682 Base-Backbone interact. energy: -1.108 local terms energy: -497.985070 where: bonds (distance) C4'-P energy: -82.123 bonds (distance) P-C4' energy: -96.521 flat angles C4'-P-C4' energy: -111.058 flat angles P-C4'-P energy: -65.124 tors. eta vs tors. theta energy: -143.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1567.169019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.169019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.169019 (E_RNA) where: Base-Base interactions energy: -1061.500 where: short stacking energy: -436.675 Base-Backbone interact. energy: -2.730 local terms energy: -502.939396 where: bonds (distance) C4'-P energy: -91.514 bonds (distance) P-C4' energy: -96.185 flat angles C4'-P-C4' energy: -99.600 flat angles P-C4'-P energy: -73.463 tors. eta vs tors. theta energy: -142.177 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: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1470.925176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.925176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.925176 (E_RNA) where: Base-Base interactions energy: -1013.121 where: short stacking energy: -406.104 Base-Backbone interact. energy: 0.667 local terms energy: -458.470463 where: bonds (distance) C4'-P energy: -91.617 bonds (distance) P-C4' energy: -88.671 flat angles C4'-P-C4' energy: -101.182 flat angles P-C4'-P energy: -59.417 tors. eta vs tors. theta energy: -117.583 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: 4 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1440.703942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.703942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.703942 (E_RNA) where: Base-Base interactions energy: -980.021 where: short stacking energy: -388.882 Base-Backbone interact. energy: -1.091 local terms energy: -459.591610 where: bonds (distance) C4'-P energy: -69.255 bonds (distance) P-C4' energy: -99.786 flat angles C4'-P-C4' energy: -102.540 flat angles P-C4'-P energy: -72.650 tors. eta vs tors. theta energy: -115.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1321.610554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.610554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.610554 (E_RNA) where: Base-Base interactions energy: -897.988 where: short stacking energy: -372.342 Base-Backbone interact. energy: 0.078 local terms energy: -423.701322 where: bonds (distance) C4'-P energy: -82.997 bonds (distance) P-C4' energy: -89.542 flat angles C4'-P-C4' energy: -93.515 flat angles P-C4'-P energy: -46.804 tors. eta vs tors. theta energy: -110.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1135.267784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.267784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.267784 (E_RNA) where: Base-Base interactions energy: -724.231 where: short stacking energy: -335.161 Base-Backbone interact. energy: -1.183 local terms energy: -409.853505 where: bonds (distance) C4'-P energy: -84.198 bonds (distance) P-C4' energy: -90.997 flat angles C4'-P-C4' energy: -89.641 flat angles P-C4'-P energy: -54.505 tors. eta vs tors. theta energy: -90.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -981.406779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.406779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.406779 (E_RNA) where: Base-Base interactions energy: -610.524 where: short stacking energy: -295.905 Base-Backbone interact. energy: -2.596 local terms energy: -368.286465 where: bonds (distance) C4'-P energy: -83.991 bonds (distance) P-C4' energy: -74.533 flat angles C4'-P-C4' energy: -92.252 flat angles P-C4'-P energy: -47.800 tors. eta vs tors. theta energy: -69.710 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: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -753.252926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.252926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.252926 (E_RNA) where: Base-Base interactions energy: -444.273 where: short stacking energy: -206.657 Base-Backbone interact. energy: 1.130 local terms energy: -310.109947 where: bonds (distance) C4'-P energy: -63.302 bonds (distance) P-C4' energy: -75.082 flat angles C4'-P-C4' energy: -88.429 flat angles P-C4'-P energy: -44.974 tors. eta vs tors. theta energy: -38.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -594.419031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.419031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.419031 (E_RNA) where: Base-Base interactions energy: -340.222 where: short stacking energy: -204.305 Base-Backbone interact. energy: 7.826 local terms energy: -262.022518 where: bonds (distance) C4'-P energy: -57.246 bonds (distance) P-C4' energy: -76.686 flat angles C4'-P-C4' energy: -60.249 flat angles P-C4'-P energy: -45.302 tors. eta vs tors. theta energy: -22.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -528.477691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.477691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.477691 (E_RNA) where: Base-Base interactions energy: -250.866 where: short stacking energy: -127.175 Base-Backbone interact. energy: -0.480 local terms energy: -277.132114 where: bonds (distance) C4'-P energy: -78.503 bonds (distance) P-C4' energy: -71.911 flat angles C4'-P-C4' energy: -75.853 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1626.831451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.831451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.831451 (E_RNA) where: Base-Base interactions energy: -1126.418 where: short stacking energy: -446.469 Base-Backbone interact. energy: -2.626 local terms energy: -497.786788 where: bonds (distance) C4'-P energy: -84.251 bonds (distance) P-C4' energy: -98.354 flat angles C4'-P-C4' energy: -105.147 flat angles P-C4'-P energy: -72.831 tors. eta vs tors. theta energy: -137.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1561.823216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.823216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.823216 (E_RNA) where: Base-Base interactions energy: -1075.923 where: short stacking energy: -444.410 Base-Backbone interact. energy: -0.046 local terms energy: -485.854832 where: bonds (distance) C4'-P energy: -78.705 bonds (distance) P-C4' energy: -96.279 flat angles C4'-P-C4' energy: -102.891 flat angles P-C4'-P energy: -70.586 tors. eta vs tors. theta energy: -137.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1469.497292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.497292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.497292 (E_RNA) where: Base-Base interactions energy: -1004.880 where: short stacking energy: -402.270 Base-Backbone interact. energy: -2.632 local terms energy: -461.985091 where: bonds (distance) C4'-P energy: -81.809 bonds (distance) P-C4' energy: -86.728 flat angles C4'-P-C4' energy: -95.729 flat angles P-C4'-P energy: -69.377 tors. eta vs tors. theta energy: -128.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1431.379559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.379559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.379559 (E_RNA) where: Base-Base interactions energy: -997.799 where: short stacking energy: -418.406 Base-Backbone interact. energy: 2.097 local terms energy: -435.677357 where: bonds (distance) C4'-P energy: -89.777 bonds (distance) P-C4' energy: -74.106 flat angles C4'-P-C4' energy: -94.206 flat angles P-C4'-P energy: -59.056 tors. eta vs tors. theta energy: -118.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1342.668763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.668763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.668763 (E_RNA) where: Base-Base interactions energy: -905.682 where: short stacking energy: -379.261 Base-Backbone interact. energy: 1.113 local terms energy: -438.099873 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -84.709 flat angles C4'-P-C4' energy: -93.726 flat angles P-C4'-P energy: -70.459 tors. eta vs tors. theta energy: -112.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1113.196161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.196161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.196161 (E_RNA) where: Base-Base interactions energy: -744.337 where: short stacking energy: -328.803 Base-Backbone interact. energy: -2.371 local terms energy: -366.487847 where: bonds (distance) C4'-P energy: -70.171 bonds (distance) P-C4' energy: -83.349 flat angles C4'-P-C4' energy: -83.210 flat angles P-C4'-P energy: -53.147 tors. eta vs tors. theta energy: -76.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -941.768449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.768449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.768449 (E_RNA) where: Base-Base interactions energy: -567.210 where: short stacking energy: -265.425 Base-Backbone interact. energy: -0.813 local terms energy: -373.746323 where: bonds (distance) C4'-P energy: -77.873 bonds (distance) P-C4' energy: -85.135 flat angles C4'-P-C4' energy: -83.690 flat angles P-C4'-P energy: -66.321 tors. eta vs tors. theta energy: -60.728 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: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -733.163178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.163178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.163178 (E_RNA) where: Base-Base interactions energy: -415.678 where: short stacking energy: -198.718 Base-Backbone interact. energy: -0.639 local terms energy: -316.846212 where: bonds (distance) C4'-P energy: -64.562 bonds (distance) P-C4' energy: -85.977 flat angles C4'-P-C4' energy: -82.604 flat angles P-C4'-P energy: -55.213 tors. eta vs tors. theta energy: -28.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -565.691058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.691058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.691058 (E_RNA) where: Base-Base interactions energy: -282.247 where: short stacking energy: -156.845 Base-Backbone interact. energy: 0.062 local terms energy: -283.505416 where: bonds (distance) C4'-P energy: -80.820 bonds (distance) P-C4' energy: -83.768 flat angles C4'-P-C4' energy: -71.697 flat angles P-C4'-P energy: -36.686 tors. eta vs tors. theta energy: -10.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -505.817294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.817294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.817294 (E_RNA) where: Base-Base interactions energy: -244.623 where: short stacking energy: -127.841 Base-Backbone interact. energy: -1.165 local terms energy: -260.029467 where: bonds (distance) C4'-P energy: -85.437 bonds (distance) P-C4' energy: -72.292 flat angles C4'-P-C4' energy: -58.684 flat angles P-C4'-P energy: -44.317 tors. eta vs tors. theta energy: 0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1614.343212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.343212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.343212 (E_RNA) where: Base-Base interactions energy: -1120.102 where: short stacking energy: -458.240 Base-Backbone interact. energy: -2.974 local terms energy: -491.267224 where: bonds (distance) C4'-P energy: -83.457 bonds (distance) P-C4' energy: -90.697 flat angles C4'-P-C4' energy: -102.620 flat angles P-C4'-P energy: -74.221 tors. eta vs tors. theta energy: -140.273 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: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1557.167171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.167171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.167171 (E_RNA) where: Base-Base interactions energy: -1073.451 where: short stacking energy: -457.770 Base-Backbone interact. energy: -0.880 local terms energy: -482.835657 where: bonds (distance) C4'-P energy: -88.504 bonds (distance) P-C4' energy: -75.585 flat angles C4'-P-C4' energy: -103.812 flat angles P-C4'-P energy: -70.731 tors. eta vs tors. theta energy: -144.204 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: 4 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1505.845376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.845376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.845376 (E_RNA) where: Base-Base interactions energy: -1034.864 where: short stacking energy: -431.170 Base-Backbone interact. energy: -6.736 local terms energy: -464.245483 where: bonds (distance) C4'-P energy: -89.759 bonds (distance) P-C4' energy: -87.020 flat angles C4'-P-C4' energy: -101.186 flat angles P-C4'-P energy: -64.463 tors. eta vs tors. theta energy: -121.817 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: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1440.971851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.971851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.971851 (E_RNA) where: Base-Base interactions energy: -986.253 where: short stacking energy: -396.338 Base-Backbone interact. energy: 0.756 local terms energy: -455.474715 where: bonds (distance) C4'-P energy: -92.805 bonds (distance) P-C4' energy: -86.033 flat angles C4'-P-C4' energy: -100.588 flat angles P-C4'-P energy: -55.932 tors. eta vs tors. theta energy: -120.117 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: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1333.502354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.502354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.502354 (E_RNA) where: Base-Base interactions energy: -919.193 where: short stacking energy: -374.091 Base-Backbone interact. energy: -1.414 local terms energy: -412.895618 where: bonds (distance) C4'-P energy: -79.391 bonds (distance) P-C4' energy: -75.455 flat angles C4'-P-C4' energy: -95.227 flat angles P-C4'-P energy: -59.546 tors. eta vs tors. theta energy: -103.277 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: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1142.858844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.858844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.858844 (E_RNA) where: Base-Base interactions energy: -756.776 where: short stacking energy: -333.102 Base-Backbone interact. energy: 0.065 local terms energy: -386.147149 where: bonds (distance) C4'-P energy: -72.491 bonds (distance) P-C4' energy: -88.859 flat angles C4'-P-C4' energy: -85.315 flat angles P-C4'-P energy: -59.045 tors. eta vs tors. theta energy: -80.437 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: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -954.533167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.533167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.533167 (E_RNA) where: Base-Base interactions energy: -591.104 where: short stacking energy: -273.024 Base-Backbone interact. energy: -2.092 local terms energy: -361.337155 where: bonds (distance) C4'-P energy: -73.883 bonds (distance) P-C4' energy: -83.860 flat angles C4'-P-C4' energy: -84.119 flat angles P-C4'-P energy: -56.681 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: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -721.606728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.606728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.606728 (E_RNA) where: Base-Base interactions energy: -428.103 where: short stacking energy: -206.764 Base-Backbone interact. energy: 1.417 local terms energy: -294.921493 where: bonds (distance) C4'-P energy: -80.710 bonds (distance) P-C4' energy: -89.066 flat angles C4'-P-C4' energy: -75.811 flat angles P-C4'-P energy: -26.233 tors. eta vs tors. theta energy: -23.102 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: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -542.031773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.031773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.031773 (E_RNA) where: Base-Base interactions energy: -259.307 where: short stacking energy: -141.748 Base-Backbone interact. energy: -2.216 local terms energy: -280.508585 where: bonds (distance) C4'-P energy: -83.909 bonds (distance) P-C4' energy: -75.388 flat angles C4'-P-C4' energy: -64.755 flat angles P-C4'-P energy: -51.300 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -524.923735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.923735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.923735 (E_RNA) where: Base-Base interactions energy: -256.395 where: short stacking energy: -132.549 Base-Backbone interact. energy: 2.853 local terms energy: -271.381695 where: bonds (distance) C4'-P energy: -76.183 bonds (distance) P-C4' energy: -79.535 flat angles C4'-P-C4' energy: -70.032 flat angles P-C4'-P energy: -52.632 tors. eta vs tors. theta energy: 7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1628.885473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.885473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.885473 (E_RNA) where: Base-Base interactions energy: -1109.483 where: short stacking energy: -451.265 Base-Backbone interact. energy: -3.053 local terms energy: -516.349246 where: bonds (distance) C4'-P energy: -104.422 bonds (distance) P-C4' energy: -87.860 flat angles C4'-P-C4' energy: -104.256 flat angles P-C4'-P energy: -80.435 tors. eta vs tors. theta energy: -139.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1563.127694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.127694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.127694 (E_RNA) where: Base-Base interactions energy: -1095.777 where: short stacking energy: -467.415 Base-Backbone interact. energy: -1.135 local terms energy: -466.215541 where: bonds (distance) C4'-P energy: -79.050 bonds (distance) P-C4' energy: -78.755 flat angles C4'-P-C4' energy: -98.318 flat angles P-C4'-P energy: -71.626 tors. eta vs tors. theta energy: -138.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1492.873816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.873816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.873816 (E_RNA) where: Base-Base interactions energy: -1034.502 where: short stacking energy: -444.718 Base-Backbone interact. energy: -2.125 local terms energy: -456.246276 where: bonds (distance) C4'-P energy: -91.474 bonds (distance) P-C4' energy: -81.711 flat angles C4'-P-C4' energy: -91.768 flat angles P-C4'-P energy: -65.428 tors. eta vs tors. theta energy: -125.864 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: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1464.499208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.499208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.499208 (E_RNA) where: Base-Base interactions energy: -1005.293 where: short stacking energy: -409.776 Base-Backbone interact. energy: 2.397 local terms energy: -461.602796 where: bonds (distance) C4'-P energy: -82.157 bonds (distance) P-C4' energy: -84.896 flat angles C4'-P-C4' energy: -104.460 flat angles P-C4'-P energy: -68.250 tors. eta vs tors. theta energy: -121.840 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: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1328.663649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.663649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.663649 (E_RNA) where: Base-Base interactions energy: -897.255 where: short stacking energy: -379.091 Base-Backbone interact. energy: -3.387 local terms energy: -428.022229 where: bonds (distance) C4'-P energy: -83.410 bonds (distance) P-C4' energy: -87.383 flat angles C4'-P-C4' energy: -96.962 flat angles P-C4'-P energy: -48.667 tors. eta vs tors. theta energy: -111.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1162.023184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.023184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.023184 (E_RNA) where: Base-Base interactions energy: -748.648 where: short stacking energy: -326.481 Base-Backbone interact. energy: -0.580 local terms energy: -412.794845 where: bonds (distance) C4'-P energy: -87.467 bonds (distance) P-C4' energy: -91.440 flat angles C4'-P-C4' energy: -87.309 flat angles P-C4'-P energy: -47.639 tors. eta vs tors. theta energy: -98.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -958.070747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.070747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.070747 (E_RNA) where: Base-Base interactions energy: -578.817 where: short stacking energy: -276.977 Base-Backbone interact. energy: -1.515 local terms energy: -377.739214 where: bonds (distance) C4'-P energy: -76.658 bonds (distance) P-C4' energy: -80.277 flat angles C4'-P-C4' energy: -94.890 flat angles P-C4'-P energy: -62.013 tors. eta vs tors. theta energy: -63.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -730.278707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.278707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.278707 (E_RNA) where: Base-Base interactions energy: -416.517 where: short stacking energy: -226.672 Base-Backbone interact. energy: 0.254 local terms energy: -314.015892 where: bonds (distance) C4'-P energy: -73.301 bonds (distance) P-C4' energy: -78.124 flat angles C4'-P-C4' energy: -75.416 flat angles P-C4'-P energy: -53.077 tors. eta vs tors. theta energy: -34.098 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: 10 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -560.190610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.190610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.190610 (E_RNA) where: Base-Base interactions energy: -302.294 where: short stacking energy: -173.179 Base-Backbone interact. energy: 0.367 local terms energy: -258.263374 where: bonds (distance) C4'-P energy: -72.690 bonds (distance) P-C4' energy: -85.531 flat angles C4'-P-C4' energy: -55.724 flat angles P-C4'-P energy: -43.746 tors. eta vs tors. theta energy: -0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -517.186285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.186285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.186285 (E_RNA) where: Base-Base interactions energy: -256.996 where: short stacking energy: -144.204 Base-Backbone interact. energy: 4.280 local terms energy: -264.470271 where: bonds (distance) C4'-P energy: -60.826 bonds (distance) P-C4' energy: -78.449 flat angles C4'-P-C4' energy: -71.335 flat angles P-C4'-P energy: -45.671 tors. eta vs tors. theta energy: -8.190 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: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1634.578885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.578885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.578885 (E_RNA) where: Base-Base interactions energy: -1147.004 where: short stacking energy: -463.600 Base-Backbone interact. energy: -4.602 local terms energy: -482.973066 where: bonds (distance) C4'-P energy: -83.031 bonds (distance) P-C4' energy: -79.786 flat angles C4'-P-C4' energy: -103.816 flat angles P-C4'-P energy: -69.369 tors. eta vs tors. theta energy: -146.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1538.047613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.047613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.047613 (E_RNA) where: Base-Base interactions energy: -1052.254 where: short stacking energy: -453.103 Base-Backbone interact. energy: -0.955 local terms energy: -484.838451 where: bonds (distance) C4'-P energy: -89.673 bonds (distance) P-C4' energy: -88.058 flat angles C4'-P-C4' energy: -102.062 flat angles P-C4'-P energy: -69.039 tors. eta vs tors. theta energy: -136.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1466.698606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.698606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.698606 (E_RNA) where: Base-Base interactions energy: -1021.318 where: short stacking energy: -439.091 Base-Backbone interact. energy: -4.057 local terms energy: -441.323780 where: bonds (distance) C4'-P energy: -83.814 bonds (distance) P-C4' energy: -73.820 flat angles C4'-P-C4' energy: -92.753 flat angles P-C4'-P energy: -65.401 tors. eta vs tors. theta energy: -125.536 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: 341 Temperature: 1.050000 Total energy: -1462.818030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.818030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.818030 (E_RNA) where: Base-Base interactions energy: -1004.211 where: short stacking energy: -407.283 Base-Backbone interact. energy: -3.573 local terms energy: -455.033928 where: bonds (distance) C4'-P energy: -81.482 bonds (distance) P-C4' energy: -87.735 flat angles C4'-P-C4' energy: -93.201 flat angles P-C4'-P energy: -74.378 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: 5, replica: 3 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1360.263486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.263486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.263486 (E_RNA) where: Base-Base interactions energy: -935.727 where: short stacking energy: -390.893 Base-Backbone interact. energy: 1.472 local terms energy: -426.008267 where: bonds (distance) C4'-P energy: -75.766 bonds (distance) P-C4' energy: -90.309 flat angles C4'-P-C4' energy: -94.008 flat angles P-C4'-P energy: -59.764 tors. eta vs tors. theta energy: -106.162 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: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1180.706258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.706258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.706258 (E_RNA) where: Base-Base interactions energy: -798.018 where: short stacking energy: -363.416 Base-Backbone interact. energy: -1.945 local terms energy: -380.743001 where: bonds (distance) C4'-P energy: -64.182 bonds (distance) P-C4' energy: -79.770 flat angles C4'-P-C4' energy: -84.110 flat angles P-C4'-P energy: -68.598 tors. eta vs tors. theta energy: -84.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -943.015955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.015955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.015955 (E_RNA) where: Base-Base interactions energy: -594.817 where: short stacking energy: -279.554 Base-Backbone interact. energy: 0.720 local terms energy: -348.919450 where: bonds (distance) C4'-P energy: -80.629 bonds (distance) P-C4' energy: -72.544 flat angles C4'-P-C4' energy: -85.018 flat angles P-C4'-P energy: -45.676 tors. eta vs tors. theta energy: -65.053 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: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -717.956592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.956592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.956592 (E_RNA) where: Base-Base interactions energy: -406.229 where: short stacking energy: -212.092 Base-Backbone interact. energy: -0.672 local terms energy: -311.055157 where: bonds (distance) C4'-P energy: -74.593 bonds (distance) P-C4' energy: -84.315 flat angles C4'-P-C4' energy: -77.392 flat angles P-C4'-P energy: -48.989 tors. eta vs tors. theta energy: -25.767 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: 9, replica: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -537.104632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.104632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.104632 (E_RNA) where: Base-Base interactions energy: -272.358 where: short stacking energy: -162.036 Base-Backbone interact. energy: -1.462 local terms energy: -263.284814 where: bonds (distance) C4'-P energy: -71.046 bonds (distance) P-C4' energy: -75.061 flat angles C4'-P-C4' energy: -62.522 flat angles P-C4'-P energy: -43.680 tors. eta vs tors. theta energy: -10.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -532.587815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.587815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.587815 (E_RNA) where: Base-Base interactions energy: -293.247 where: short stacking energy: -172.514 Base-Backbone interact. energy: 5.457 local terms energy: -244.797974 where: bonds (distance) C4'-P energy: -69.734 bonds (distance) P-C4' energy: -78.004 flat angles C4'-P-C4' energy: -58.381 flat angles P-C4'-P energy: -29.953 tors. eta vs tors. theta energy: -8.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1627.536950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.536950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.536950 (E_RNA) where: Base-Base interactions energy: -1122.082 where: short stacking energy: -461.376 Base-Backbone interact. energy: -1.365 local terms energy: -504.089374 where: bonds (distance) C4'-P energy: -98.583 bonds (distance) P-C4' energy: -86.871 flat angles C4'-P-C4' energy: -94.217 flat angles P-C4'-P energy: -83.220 tors. eta vs tors. theta energy: -141.197 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: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1575.438342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.438342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.438342 (E_RNA) where: Base-Base interactions energy: -1072.102 where: short stacking energy: -465.367 Base-Backbone interact. energy: -1.235 local terms energy: -502.101611 where: bonds (distance) C4'-P energy: -92.570 bonds (distance) P-C4' energy: -92.268 flat angles C4'-P-C4' energy: -103.870 flat angles P-C4'-P energy: -63.881 tors. eta vs tors. theta energy: -149.512 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: 3, replica: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1474.874785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.874785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.874785 (E_RNA) where: Base-Base interactions energy: -1008.804 where: short stacking energy: -416.897 Base-Backbone interact. energy: -2.070 local terms energy: -464.000757 where: bonds (distance) C4'-P energy: -83.504 bonds (distance) P-C4' energy: -95.706 flat angles C4'-P-C4' energy: -93.994 flat angles P-C4'-P energy: -73.157 tors. eta vs tors. theta energy: -117.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1480.859210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.859210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.859210 (E_RNA) where: Base-Base interactions energy: -1020.278 where: short stacking energy: -405.337 Base-Backbone interact. energy: -4.056 local terms energy: -456.525742 where: bonds (distance) C4'-P energy: -85.649 bonds (distance) P-C4' energy: -88.548 flat angles C4'-P-C4' energy: -99.006 flat angles P-C4'-P energy: -67.187 tors. eta vs tors. theta energy: -116.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1341.472525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.472525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.472525 (E_RNA) where: Base-Base interactions energy: -922.649 where: short stacking energy: -402.447 Base-Backbone interact. energy: -0.132 local terms energy: -418.691542 where: bonds (distance) C4'-P energy: -74.968 bonds (distance) P-C4' energy: -80.860 flat angles C4'-P-C4' energy: -96.318 flat angles P-C4'-P energy: -49.575 tors. eta vs tors. theta energy: -116.971 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: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1170.011962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.011962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.011962 (E_RNA) where: Base-Base interactions energy: -762.957 where: short stacking energy: -327.460 Base-Backbone interact. energy: -0.217 local terms energy: -406.837671 where: bonds (distance) C4'-P energy: -77.039 bonds (distance) P-C4' energy: -87.142 flat angles C4'-P-C4' energy: -85.047 flat angles P-C4'-P energy: -62.768 tors. eta vs tors. theta energy: -94.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -908.365436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.365436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.365436 (E_RNA) where: Base-Base interactions energy: -566.585 where: short stacking energy: -261.649 Base-Backbone interact. energy: 2.815 local terms energy: -344.595982 where: bonds (distance) C4'-P energy: -82.592 bonds (distance) P-C4' energy: -84.419 flat angles C4'-P-C4' energy: -71.554 flat angles P-C4'-P energy: -55.103 tors. eta vs tors. theta energy: -50.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -719.474612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.474612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.474612 (E_RNA) where: Base-Base interactions energy: -434.268 where: short stacking energy: -223.290 Base-Backbone interact. energy: -0.899 local terms energy: -284.307876 where: bonds (distance) C4'-P energy: -67.019 bonds (distance) P-C4' energy: -76.226 flat angles C4'-P-C4' energy: -68.480 flat angles P-C4'-P energy: -40.100 tors. eta vs tors. theta energy: -32.483 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: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -535.264772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.264772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.264772 (E_RNA) where: Base-Base interactions energy: -269.143 where: short stacking energy: -156.470 Base-Backbone interact. energy: 0.285 local terms energy: -266.406733 where: bonds (distance) C4'-P energy: -79.868 bonds (distance) P-C4' energy: -65.037 flat angles C4'-P-C4' energy: -61.385 flat angles P-C4'-P energy: -64.038 tors. eta vs tors. theta energy: 3.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -510.820956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.820956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.820956 (E_RNA) where: Base-Base interactions energy: -270.573 where: short stacking energy: -140.111 Base-Backbone interact. energy: -2.559 local terms energy: -237.688682 where: bonds (distance) C4'-P energy: -67.108 bonds (distance) P-C4' energy: -87.497 flat angles C4'-P-C4' energy: -62.909 flat angles P-C4'-P energy: -19.584 tors. eta vs tors. theta energy: -0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1649.323373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.323373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.323373 (E_RNA) where: Base-Base interactions energy: -1161.297 where: short stacking energy: -475.117 Base-Backbone interact. energy: 1.436 local terms energy: -489.462198 where: bonds (distance) C4'-P energy: -85.985 bonds (distance) P-C4' energy: -88.876 flat angles C4'-P-C4' energy: -104.408 flat angles P-C4'-P energy: -66.495 tors. eta vs tors. theta energy: -143.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1567.542670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.542670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.542670 (E_RNA) where: Base-Base interactions energy: -1065.918 where: short stacking energy: -435.106 Base-Backbone interact. energy: -2.102 local terms energy: -499.522323 where: bonds (distance) C4'-P energy: -98.063 bonds (distance) P-C4' energy: -93.099 flat angles C4'-P-C4' energy: -94.846 flat angles P-C4'-P energy: -69.230 tors. eta vs tors. theta energy: -144.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1518.875417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.875417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.875417 (E_RNA) where: Base-Base interactions energy: -1047.094 where: short stacking energy: -424.235 Base-Backbone interact. energy: -3.058 local terms energy: -468.723892 where: bonds (distance) C4'-P energy: -95.006 bonds (distance) P-C4' energy: -93.678 flat angles C4'-P-C4' energy: -86.232 flat angles P-C4'-P energy: -75.066 tors. eta vs tors. theta energy: -118.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1439.845413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.845413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.845413 (E_RNA) where: Base-Base interactions energy: -980.543 where: short stacking energy: -398.726 Base-Backbone interact. energy: -0.122 local terms energy: -459.179869 where: bonds (distance) C4'-P energy: -91.455 bonds (distance) P-C4' energy: -80.491 flat angles C4'-P-C4' energy: -98.807 flat angles P-C4'-P energy: -64.672 tors. eta vs tors. theta energy: -123.755 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: 343 Temperature: 1.100000 Total energy: -1287.822990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.822990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.822990 (E_RNA) where: Base-Base interactions energy: -872.825 where: short stacking energy: -344.375 Base-Backbone interact. energy: -1.482 local terms energy: -413.515469 where: bonds (distance) C4'-P energy: -72.252 bonds (distance) P-C4' energy: -79.163 flat angles C4'-P-C4' energy: -92.511 flat angles P-C4'-P energy: -70.559 tors. eta vs tors. theta energy: -99.031 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: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1222.103065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.103065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.103065 (E_RNA) where: Base-Base interactions energy: -786.611 where: short stacking energy: -360.805 Base-Backbone interact. energy: -1.834 local terms energy: -433.658688 where: bonds (distance) C4'-P energy: -82.292 bonds (distance) P-C4' energy: -85.073 flat angles C4'-P-C4' energy: -94.298 flat angles P-C4'-P energy: -65.294 tors. eta vs tors. theta energy: -106.702 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: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -957.005672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.005672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.005672 (E_RNA) where: Base-Base interactions energy: -597.629 where: short stacking energy: -278.678 Base-Backbone interact. energy: -1.899 local terms energy: -357.476835 where: bonds (distance) C4'-P energy: -61.909 bonds (distance) P-C4' energy: -92.774 flat angles C4'-P-C4' energy: -94.372 flat angles P-C4'-P energy: -57.228 tors. eta vs tors. theta energy: -51.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -704.508046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.508046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.508046 (E_RNA) where: Base-Base interactions energy: -416.379 where: short stacking energy: -203.921 Base-Backbone interact. energy: -0.488 local terms energy: -287.640730 where: bonds (distance) C4'-P energy: -72.511 bonds (distance) P-C4' energy: -78.041 flat angles C4'-P-C4' energy: -72.957 flat angles P-C4'-P energy: -49.793 tors. eta vs tors. theta energy: -14.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -543.813332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.813332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.813332 (E_RNA) where: Base-Base interactions energy: -261.479 where: short stacking energy: -152.320 Base-Backbone interact. energy: -0.942 local terms energy: -281.392332 where: bonds (distance) C4'-P energy: -75.875 bonds (distance) P-C4' energy: -74.808 flat angles C4'-P-C4' energy: -75.441 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -7.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -502.059502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.059502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.059502 (E_RNA) where: Base-Base interactions energy: -257.091 where: short stacking energy: -137.444 Base-Backbone interact. energy: -1.732 local terms energy: -243.236647 where: bonds (distance) C4'-P energy: -63.660 bonds (distance) P-C4' energy: -74.733 flat angles C4'-P-C4' energy: -72.941 flat angles P-C4'-P energy: -41.170 tors. eta vs tors. theta energy: 9.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1627.341095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.341095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.341095 (E_RNA) where: Base-Base interactions energy: -1122.181 where: short stacking energy: -474.246 Base-Backbone interact. energy: -5.323 local terms energy: -499.837750 where: bonds (distance) C4'-P energy: -90.040 bonds (distance) P-C4' energy: -95.131 flat angles C4'-P-C4' energy: -105.033 flat angles P-C4'-P energy: -67.364 tors. eta vs tors. theta energy: -142.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1570.070956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.070956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.070956 (E_RNA) where: Base-Base interactions energy: -1068.741 where: short stacking energy: -449.506 Base-Backbone interact. energy: -0.981 local terms energy: -500.348868 where: bonds (distance) C4'-P energy: -93.015 bonds (distance) P-C4' energy: -92.196 flat angles C4'-P-C4' energy: -98.295 flat angles P-C4'-P energy: -70.940 tors. eta vs tors. theta energy: -145.903 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: 4 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1517.717550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.717550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.717550 (E_RNA) where: Base-Base interactions energy: -1053.263 where: short stacking energy: -429.945 Base-Backbone interact. energy: -1.689 local terms energy: -462.765494 where: bonds (distance) C4'-P energy: -91.739 bonds (distance) P-C4' energy: -89.616 flat angles C4'-P-C4' energy: -94.333 flat angles P-C4'-P energy: -59.301 tors. eta vs tors. theta energy: -127.776 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: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1475.882374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.882374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.882374 (E_RNA) where: Base-Base interactions energy: -1024.053 where: short stacking energy: -427.439 Base-Backbone interact. energy: 0.171 local terms energy: -452.000412 where: bonds (distance) C4'-P energy: -89.213 bonds (distance) P-C4' energy: -85.695 flat angles C4'-P-C4' energy: -88.753 flat angles P-C4'-P energy: -70.438 tors. eta vs tors. theta energy: -117.901 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: 5, replica: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1304.569882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.569882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.569882 (E_RNA) where: Base-Base interactions energy: -874.559 where: short stacking energy: -379.479 Base-Backbone interact. energy: -1.407 local terms energy: -428.603881 where: bonds (distance) C4'-P energy: -93.501 bonds (distance) P-C4' energy: -68.041 flat angles C4'-P-C4' energy: -98.155 flat angles P-C4'-P energy: -53.000 tors. eta vs tors. theta energy: -115.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1184.655744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.655744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.655744 (E_RNA) where: Base-Base interactions energy: -787.340 where: short stacking energy: -353.082 Base-Backbone interact. energy: -2.357 local terms energy: -394.958448 where: bonds (distance) C4'-P energy: -75.747 bonds (distance) P-C4' energy: -91.589 flat angles C4'-P-C4' energy: -81.114 flat angles P-C4'-P energy: -49.754 tors. eta vs tors. theta energy: -96.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -914.939478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.939478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.939478 (E_RNA) where: Base-Base interactions energy: -576.598 where: short stacking energy: -268.815 Base-Backbone interact. energy: -1.793 local terms energy: -336.548989 where: bonds (distance) C4'-P energy: -72.771 bonds (distance) P-C4' energy: -81.131 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -47.315 tors. eta vs tors. theta energy: -61.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -712.365971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.365971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.365971 (E_RNA) where: Base-Base interactions energy: -422.043 where: short stacking energy: -208.009 Base-Backbone interact. energy: 0.548 local terms energy: -290.871115 where: bonds (distance) C4'-P energy: -69.341 bonds (distance) P-C4' energy: -72.920 flat angles C4'-P-C4' energy: -71.658 flat angles P-C4'-P energy: -41.656 tors. eta vs tors. theta energy: -35.297 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: 9, replica: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -536.030620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.030620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.030620 (E_RNA) where: Base-Base interactions energy: -239.932 where: short stacking energy: -135.325 Base-Backbone interact. energy: -2.469 local terms energy: -293.630267 where: bonds (distance) C4'-P energy: -84.147 bonds (distance) P-C4' energy: -86.395 flat angles C4'-P-C4' energy: -66.885 flat angles P-C4'-P energy: -47.326 tors. eta vs tors. theta energy: -8.878 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: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -506.392199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.392199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.392199 (E_RNA) where: Base-Base interactions energy: -253.979 where: short stacking energy: -127.083 Base-Backbone interact. energy: -0.886 local terms energy: -251.526781 where: bonds (distance) C4'-P energy: -67.567 bonds (distance) P-C4' energy: -89.871 flat angles C4'-P-C4' energy: -63.558 flat angles P-C4'-P energy: -36.092 tors. eta vs tors. theta energy: 5.562 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: 345 Temperature: 0.900000 Total energy: -1627.014399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.014399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.014399 (E_RNA) where: Base-Base interactions energy: -1135.447 where: short stacking energy: -465.426 Base-Backbone interact. energy: -4.162 local terms energy: -487.405486 where: bonds (distance) C4'-P energy: -91.423 bonds (distance) P-C4' energy: -93.649 flat angles C4'-P-C4' energy: -97.574 flat angles P-C4'-P energy: -67.956 tors. eta vs tors. theta energy: -136.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1569.529864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.529864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.529864 (E_RNA) where: Base-Base interactions energy: -1091.897 where: short stacking energy: -466.638 Base-Backbone interact. energy: 0.364 local terms energy: -477.996360 where: bonds (distance) C4'-P energy: -72.394 bonds (distance) P-C4' energy: -85.143 flat angles C4'-P-C4' energy: -97.952 flat angles P-C4'-P energy: -71.041 tors. eta vs tors. theta energy: -151.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1498.434580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.434580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.434580 (E_RNA) where: Base-Base interactions energy: -1051.023 where: short stacking energy: -416.934 Base-Backbone interact. energy: -0.196 local terms energy: -447.216167 where: bonds (distance) C4'-P energy: -71.150 bonds (distance) P-C4' energy: -87.496 flat angles C4'-P-C4' energy: -99.631 flat angles P-C4'-P energy: -64.860 tors. eta vs tors. theta energy: -124.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1455.186843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.186843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.186843 (E_RNA) where: Base-Base interactions energy: -997.966 where: short stacking energy: -425.761 Base-Backbone interact. energy: 0.821 local terms energy: -458.042616 where: bonds (distance) C4'-P energy: -89.129 bonds (distance) P-C4' energy: -83.765 flat angles C4'-P-C4' energy: -101.597 flat angles P-C4'-P energy: -63.400 tors. eta vs tors. theta energy: -120.152 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: 5, replica: 3 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1285.399139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.399139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.399139 (E_RNA) where: Base-Base interactions energy: -863.492 where: short stacking energy: -363.464 Base-Backbone interact. energy: 0.786 local terms energy: -422.692634 where: bonds (distance) C4'-P energy: -66.624 bonds (distance) P-C4' energy: -78.155 flat angles C4'-P-C4' energy: -96.962 flat angles P-C4'-P energy: -71.688 tors. eta vs tors. theta energy: -109.262 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: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1219.209713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.209713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.209713 (E_RNA) where: Base-Base interactions energy: -807.867 where: short stacking energy: -353.826 Base-Backbone interact. energy: -1.064 local terms energy: -410.278424 where: bonds (distance) C4'-P energy: -84.195 bonds (distance) P-C4' energy: -76.927 flat angles C4'-P-C4' energy: -87.702 flat angles P-C4'-P energy: -64.413 tors. eta vs tors. theta energy: -97.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -943.555058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.555058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.555058 (E_RNA) where: Base-Base interactions energy: -601.814 where: short stacking energy: -263.825 Base-Backbone interact. energy: -1.448 local terms energy: -340.292994 where: bonds (distance) C4'-P energy: -73.464 bonds (distance) P-C4' energy: -79.234 flat angles C4'-P-C4' energy: -74.470 flat angles P-C4'-P energy: -53.683 tors. eta vs tors. theta energy: -59.442 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: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -769.817039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.817039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.817039 (E_RNA) where: Base-Base interactions energy: -439.110 where: short stacking energy: -217.080 Base-Backbone interact. energy: -1.501 local terms energy: -329.206814 where: bonds (distance) C4'-P energy: -68.603 bonds (distance) P-C4' energy: -87.588 flat angles C4'-P-C4' energy: -81.718 flat angles P-C4'-P energy: -51.720 tors. eta vs tors. theta energy: -39.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -550.460514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.460514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.460514 (E_RNA) where: Base-Base interactions energy: -280.283 where: short stacking energy: -158.248 Base-Backbone interact. energy: -1.493 local terms energy: -268.684827 where: bonds (distance) C4'-P energy: -63.927 bonds (distance) P-C4' energy: -80.833 flat angles C4'-P-C4' energy: -71.852 flat angles P-C4'-P energy: -41.477 tors. eta vs tors. theta energy: -10.596 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: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -521.297432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.297432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.297432 (E_RNA) where: Base-Base interactions energy: -262.695 where: short stacking energy: -140.192 Base-Backbone interact. energy: -0.442 local terms energy: -258.160267 where: bonds (distance) C4'-P energy: -71.762 bonds (distance) P-C4' energy: -92.390 flat angles C4'-P-C4' energy: -54.762 flat angles P-C4'-P energy: -32.247 tors. eta vs tors. theta energy: -7.000 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: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1669.575765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.575765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.575765 (E_RNA) where: Base-Base interactions energy: -1168.058 where: short stacking energy: -479.642 Base-Backbone interact. energy: 0.536 local terms energy: -502.053752 where: bonds (distance) C4'-P energy: -99.781 bonds (distance) P-C4' energy: -87.835 flat angles C4'-P-C4' energy: -100.394 flat angles P-C4'-P energy: -73.188 tors. eta vs tors. theta energy: -140.857 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: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1553.076773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.076773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.076773 (E_RNA) where: Base-Base interactions energy: -1058.174 where: short stacking energy: -446.364 Base-Backbone interact. energy: -1.289 local terms energy: -493.613067 where: bonds (distance) C4'-P energy: -91.205 bonds (distance) P-C4' energy: -83.287 flat angles C4'-P-C4' energy: -98.397 flat angles P-C4'-P energy: -79.026 tors. eta vs tors. theta energy: -141.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1486.363669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.363669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.363669 (E_RNA) where: Base-Base interactions energy: -1023.868 where: short stacking energy: -408.308 Base-Backbone interact. energy: -0.777 local terms energy: -461.719353 where: bonds (distance) C4'-P energy: -84.385 bonds (distance) P-C4' energy: -82.499 flat angles C4'-P-C4' energy: -107.244 flat angles P-C4'-P energy: -58.388 tors. eta vs tors. theta energy: -129.204 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: 4, replica: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1430.100911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.100911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.100911 (E_RNA) where: Base-Base interactions energy: -980.131 where: short stacking energy: -418.691 Base-Backbone interact. energy: -2.219 local terms energy: -447.749974 where: bonds (distance) C4'-P energy: -86.283 bonds (distance) P-C4' energy: -92.233 flat angles C4'-P-C4' energy: -98.075 flat angles P-C4'-P energy: -60.888 tors. eta vs tors. theta energy: -110.271 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: 3 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1303.671920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.671920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.671920 (E_RNA) where: Base-Base interactions energy: -881.586 where: short stacking energy: -367.986 Base-Backbone interact. energy: -1.941 local terms energy: -420.144531 where: bonds (distance) C4'-P energy: -82.571 bonds (distance) P-C4' energy: -81.792 flat angles C4'-P-C4' energy: -87.703 flat angles P-C4'-P energy: -62.512 tors. eta vs tors. theta energy: -105.566 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: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1252.564788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.564788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.564788 (E_RNA) where: Base-Base interactions energy: -831.957 where: short stacking energy: -352.065 Base-Backbone interact. energy: -0.174 local terms energy: -420.433716 where: bonds (distance) C4'-P energy: -74.675 bonds (distance) P-C4' energy: -84.317 flat angles C4'-P-C4' energy: -94.383 flat angles P-C4'-P energy: -64.388 tors. eta vs tors. theta energy: -102.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -966.390901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.390901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.390901 (E_RNA) where: Base-Base interactions energy: -626.936 where: short stacking energy: -291.768 Base-Backbone interact. energy: 1.433 local terms energy: -340.888118 where: bonds (distance) C4'-P energy: -62.356 bonds (distance) P-C4' energy: -84.473 flat angles C4'-P-C4' energy: -81.796 flat angles P-C4'-P energy: -52.763 tors. eta vs tors. theta energy: -59.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -750.707953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.707953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.707953 (E_RNA) where: Base-Base interactions energy: -448.830 where: short stacking energy: -230.945 Base-Backbone interact. energy: 1.680 local terms energy: -303.558216 where: bonds (distance) C4'-P energy: -60.322 bonds (distance) P-C4' energy: -75.782 flat angles C4'-P-C4' energy: -76.250 flat angles P-C4'-P energy: -53.027 tors. eta vs tors. theta energy: -38.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -569.050175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.050175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.050175 (E_RNA) where: Base-Base interactions energy: -308.654 where: short stacking energy: -177.732 Base-Backbone interact. energy: 0.903 local terms energy: -261.299099 where: bonds (distance) C4'-P energy: -84.167 bonds (distance) P-C4' energy: -75.426 flat angles C4'-P-C4' energy: -58.194 flat angles P-C4'-P energy: -37.131 tors. eta vs tors. theta energy: -6.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -517.510301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.510301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.510301 (E_RNA) where: Base-Base interactions energy: -271.174 where: short stacking energy: -144.740 Base-Backbone interact. energy: 4.566 local terms energy: -250.901757 where: bonds (distance) C4'-P energy: -78.752 bonds (distance) P-C4' energy: -85.264 flat angles C4'-P-C4' energy: -67.142 flat angles P-C4'-P energy: -25.186 tors. eta vs tors. theta energy: 5.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1633.349619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.349619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.349619 (E_RNA) where: Base-Base interactions energy: -1145.860 where: short stacking energy: -469.435 Base-Backbone interact. energy: -1.230 local terms energy: -486.259744 where: bonds (distance) C4'-P energy: -80.237 bonds (distance) P-C4' energy: -92.727 flat angles C4'-P-C4' energy: -98.350 flat angles P-C4'-P energy: -72.761 tors. eta vs tors. theta energy: -142.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1564.317401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.317401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.317401 (E_RNA) where: Base-Base interactions energy: -1085.343 where: short stacking energy: -447.992 Base-Backbone interact. energy: -1.753 local terms energy: -477.221881 where: bonds (distance) C4'-P energy: -85.617 bonds (distance) P-C4' energy: -96.784 flat angles C4'-P-C4' energy: -98.660 flat angles P-C4'-P energy: -56.282 tors. eta vs tors. theta energy: -139.879 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: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1465.841286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.841286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.841286 (E_RNA) where: Base-Base interactions energy: -1010.734 where: short stacking energy: -412.253 Base-Backbone interact. energy: -2.277 local terms energy: -452.830241 where: bonds (distance) C4'-P energy: -81.472 bonds (distance) P-C4' energy: -85.497 flat angles C4'-P-C4' energy: -100.214 flat angles P-C4'-P energy: -68.345 tors. eta vs tors. theta energy: -117.301 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: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1422.171317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.171317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.171317 (E_RNA) where: Base-Base interactions energy: -985.593 where: short stacking energy: -407.935 Base-Backbone interact. energy: -0.634 local terms energy: -435.944348 where: bonds (distance) C4'-P energy: -77.878 bonds (distance) P-C4' energy: -86.051 flat angles C4'-P-C4' energy: -85.422 flat angles P-C4'-P energy: -70.191 tors. eta vs tors. theta energy: -116.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1300.708097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.708097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.708097 (E_RNA) where: Base-Base interactions energy: -883.137 where: short stacking energy: -369.992 Base-Backbone interact. energy: 1.366 local terms energy: -418.937276 where: bonds (distance) C4'-P energy: -83.105 bonds (distance) P-C4' energy: -80.503 flat angles C4'-P-C4' energy: -90.802 flat angles P-C4'-P energy: -52.530 tors. eta vs tors. theta energy: -111.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1247.708704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.708704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.708704 (E_RNA) where: Base-Base interactions energy: -831.809 where: short stacking energy: -355.312 Base-Backbone interact. energy: 0.413 local terms energy: -416.312969 where: bonds (distance) C4'-P energy: -70.876 bonds (distance) P-C4' energy: -80.599 flat angles C4'-P-C4' energy: -82.092 flat angles P-C4'-P energy: -71.719 tors. eta vs tors. theta energy: -111.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -892.968484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.968484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.968484 (E_RNA) where: Base-Base interactions energy: -537.826 where: short stacking energy: -264.406 Base-Backbone interact. energy: 0.921 local terms energy: -356.063900 where: bonds (distance) C4'-P energy: -82.121 bonds (distance) P-C4' energy: -91.806 flat angles C4'-P-C4' energy: -77.787 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -57.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -735.302351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.302351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.302351 (E_RNA) where: Base-Base interactions energy: -466.092 where: short stacking energy: -229.627 Base-Backbone interact. energy: 2.266 local terms energy: -271.476795 where: bonds (distance) C4'-P energy: -62.111 bonds (distance) P-C4' energy: -68.980 flat angles C4'-P-C4' energy: -86.334 flat angles P-C4'-P energy: -21.500 tors. eta vs tors. theta energy: -32.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -601.653239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.653239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.653239 (E_RNA) where: Base-Base interactions energy: -334.909 where: short stacking energy: -178.744 Base-Backbone interact. energy: -1.093 local terms energy: -265.651963 where: bonds (distance) C4'-P energy: -78.370 bonds (distance) P-C4' energy: -78.873 flat angles C4'-P-C4' energy: -61.898 flat angles P-C4'-P energy: -38.240 tors. eta vs tors. theta energy: -8.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -544.818623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.818623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.818623 (E_RNA) where: Base-Base interactions energy: -292.399 where: short stacking energy: -148.552 Base-Backbone interact. energy: 0.194 local terms energy: -252.613602 where: bonds (distance) C4'-P energy: -69.048 bonds (distance) P-C4' energy: -82.306 flat angles C4'-P-C4' energy: -64.622 flat angles P-C4'-P energy: -38.845 tors. eta vs tors. theta energy: 2.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1628.996248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.996248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.996248 (E_RNA) where: Base-Base interactions energy: -1111.346 where: short stacking energy: -455.393 Base-Backbone interact. energy: 1.342 local terms energy: -518.992252 where: bonds (distance) C4'-P energy: -107.708 bonds (distance) P-C4' energy: -94.665 flat angles C4'-P-C4' energy: -109.505 flat angles P-C4'-P energy: -68.963 tors. eta vs tors. theta energy: -138.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1542.211135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.211135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.211135 (E_RNA) where: Base-Base interactions energy: -1063.974 where: short stacking energy: -448.599 Base-Backbone interact. energy: 0.230 local terms energy: -478.467150 where: bonds (distance) C4'-P energy: -84.758 bonds (distance) P-C4' energy: -80.471 flat angles C4'-P-C4' energy: -108.487 flat angles P-C4'-P energy: -70.923 tors. eta vs tors. theta energy: -133.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1442.838426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.838426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.838426 (E_RNA) where: Base-Base interactions energy: -994.509 where: short stacking energy: -399.224 Base-Backbone interact. energy: 1.201 local terms energy: -449.529720 where: bonds (distance) C4'-P energy: -81.532 bonds (distance) P-C4' energy: -83.792 flat angles C4'-P-C4' energy: -101.313 flat angles P-C4'-P energy: -64.129 tors. eta vs tors. theta energy: -118.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1437.709166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.709166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.709166 (E_RNA) where: Base-Base interactions energy: -991.983 where: short stacking energy: -415.940 Base-Backbone interact. energy: -0.179 local terms energy: -445.547307 where: bonds (distance) C4'-P energy: -81.928 bonds (distance) P-C4' energy: -83.962 flat angles C4'-P-C4' energy: -99.638 flat angles P-C4'-P energy: -64.980 tors. eta vs tors. theta energy: -115.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1322.700905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.700905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.700905 (E_RNA) where: Base-Base interactions energy: -892.034 where: short stacking energy: -357.479 Base-Backbone interact. energy: -2.124 local terms energy: -428.542603 where: bonds (distance) C4'-P energy: -90.673 bonds (distance) P-C4' energy: -78.096 flat angles C4'-P-C4' energy: -85.749 flat angles P-C4'-P energy: -65.863 tors. eta vs tors. theta energy: -108.162 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: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1200.243166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.243166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.243166 (E_RNA) where: Base-Base interactions energy: -794.355 where: short stacking energy: -341.458 Base-Backbone interact. energy: -0.689 local terms energy: -405.198557 where: bonds (distance) C4'-P energy: -81.335 bonds (distance) P-C4' energy: -82.790 flat angles C4'-P-C4' energy: -91.585 flat angles P-C4'-P energy: -55.207 tors. eta vs tors. theta energy: -94.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -819.020441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.020441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.020441 (E_RNA) where: Base-Base interactions energy: -509.209 where: short stacking energy: -246.483 Base-Backbone interact. energy: -1.740 local terms energy: -308.071462 where: bonds (distance) C4'-P energy: -73.971 bonds (distance) P-C4' energy: -66.753 flat angles C4'-P-C4' energy: -71.301 flat angles P-C4'-P energy: -52.817 tors. eta vs tors. theta energy: -43.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -860.775170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.775170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.775170 (E_RNA) where: Base-Base interactions energy: -553.589 where: short stacking energy: -249.185 Base-Backbone interact. energy: 5.980 local terms energy: -313.165823 where: bonds (distance) C4'-P energy: -75.651 bonds (distance) P-C4' energy: -78.721 flat angles C4'-P-C4' energy: -73.790 flat angles P-C4'-P energy: -38.731 tors. eta vs tors. theta energy: -46.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -582.467366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.467366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.467366 (E_RNA) where: Base-Base interactions energy: -318.755 where: short stacking energy: -162.349 Base-Backbone interact. energy: 7.186 local terms energy: -270.898143 where: bonds (distance) C4'-P energy: -75.862 bonds (distance) P-C4' energy: -86.360 flat angles C4'-P-C4' energy: -71.712 flat angles P-C4'-P energy: -30.227 tors. eta vs tors. theta energy: -6.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -488.623930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.623930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.623930 (E_RNA) where: Base-Base interactions energy: -236.485 where: short stacking energy: -131.470 Base-Backbone interact. energy: -1.312 local terms energy: -250.826804 where: bonds (distance) C4'-P energy: -73.479 bonds (distance) P-C4' energy: -85.194 flat angles C4'-P-C4' energy: -54.048 flat angles P-C4'-P energy: -41.996 tors. eta vs tors. theta energy: 3.890 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: 1, replica: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1616.031476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.031476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.031476 (E_RNA) where: Base-Base interactions energy: -1109.059 where: short stacking energy: -468.694 Base-Backbone interact. energy: -0.078 local terms energy: -506.894457 where: bonds (distance) C4'-P energy: -95.826 bonds (distance) P-C4' energy: -98.866 flat angles C4'-P-C4' energy: -100.195 flat angles P-C4'-P energy: -69.988 tors. eta vs tors. theta energy: -142.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1567.146030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.146030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.146030 (E_RNA) where: Base-Base interactions energy: -1079.502 where: short stacking energy: -455.795 Base-Backbone interact. energy: 4.181 local terms energy: -491.824889 where: bonds (distance) C4'-P energy: -92.707 bonds (distance) P-C4' energy: -80.291 flat angles C4'-P-C4' energy: -102.060 flat angles P-C4'-P energy: -74.687 tors. eta vs tors. theta energy: -142.080 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: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1462.577836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.577836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.577836 (E_RNA) where: Base-Base interactions energy: -993.174 where: short stacking energy: -424.808 Base-Backbone interact. energy: 1.998 local terms energy: -471.401502 where: bonds (distance) C4'-P energy: -80.332 bonds (distance) P-C4' energy: -90.191 flat angles C4'-P-C4' energy: -99.038 flat angles P-C4'-P energy: -68.895 tors. eta vs tors. theta energy: -132.946 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: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1454.287795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.287795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.287795 (E_RNA) where: Base-Base interactions energy: -1002.440 where: short stacking energy: -408.188 Base-Backbone interact. energy: -0.876 local terms energy: -450.971837 where: bonds (distance) C4'-P energy: -85.967 bonds (distance) P-C4' energy: -76.403 flat angles C4'-P-C4' energy: -105.077 flat angles P-C4'-P energy: -64.840 tors. eta vs tors. theta energy: -118.686 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: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1339.560895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.560895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.560895 (E_RNA) where: Base-Base interactions energy: -929.276 where: short stacking energy: -397.683 Base-Backbone interact. energy: -1.828 local terms energy: -408.456970 where: bonds (distance) C4'-P energy: -67.324 bonds (distance) P-C4' energy: -86.068 flat angles C4'-P-C4' energy: -89.310 flat angles P-C4'-P energy: -50.214 tors. eta vs tors. theta energy: -115.541 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: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1122.711888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.711888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.711888 (E_RNA) where: Base-Base interactions energy: -746.243 where: short stacking energy: -305.324 Base-Backbone interact. energy: -0.546 local terms energy: -375.922747 where: bonds (distance) C4'-P energy: -76.234 bonds (distance) P-C4' energy: -92.087 flat angles C4'-P-C4' energy: -68.290 flat angles P-C4'-P energy: -59.867 tors. eta vs tors. theta energy: -79.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -855.575836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.575836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.575836 (E_RNA) where: Base-Base interactions energy: -498.937 where: short stacking energy: -236.677 Base-Backbone interact. energy: -1.510 local terms energy: -355.128919 where: bonds (distance) C4'-P energy: -74.318 bonds (distance) P-C4' energy: -89.323 flat angles C4'-P-C4' energy: -73.522 flat angles P-C4'-P energy: -57.364 tors. eta vs tors. theta energy: -60.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -850.432651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.432651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.432651 (E_RNA) where: Base-Base interactions energy: -519.737 where: short stacking energy: -242.252 Base-Backbone interact. energy: 2.511 local terms energy: -333.206181 where: bonds (distance) C4'-P energy: -73.539 bonds (distance) P-C4' energy: -72.090 flat angles C4'-P-C4' energy: -86.777 flat angles P-C4'-P energy: -48.073 tors. eta vs tors. theta energy: -52.727 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: 9, replica: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -560.869495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.869495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.869495 (E_RNA) where: Base-Base interactions energy: -293.046 where: short stacking energy: -165.263 Base-Backbone interact. energy: -1.509 local terms energy: -266.314410 where: bonds (distance) C4'-P energy: -58.192 bonds (distance) P-C4' energy: -79.401 flat angles C4'-P-C4' energy: -80.733 flat angles P-C4'-P energy: -38.018 tors. eta vs tors. theta energy: -9.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -501.140818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.140818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.140818 (E_RNA) where: Base-Base interactions energy: -262.122 where: short stacking energy: -137.517 Base-Backbone interact. energy: 0.982 local terms energy: -240.000429 where: bonds (distance) C4'-P energy: -75.611 bonds (distance) P-C4' energy: -73.560 flat angles C4'-P-C4' energy: -50.669 flat angles P-C4'-P energy: -42.053 tors. eta vs tors. theta energy: 1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1636.367721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.367721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.367721 (E_RNA) where: Base-Base interactions energy: -1132.697 where: short stacking energy: -485.334 Base-Backbone interact. energy: -4.436 local terms energy: -499.234574 where: bonds (distance) C4'-P energy: -82.354 bonds (distance) P-C4' energy: -89.108 flat angles C4'-P-C4' energy: -103.304 flat angles P-C4'-P energy: -73.890 tors. eta vs tors. theta energy: -150.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1557.722467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.722467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.722467 (E_RNA) where: Base-Base interactions energy: -1067.462 where: short stacking energy: -460.668 Base-Backbone interact. energy: 0.012 local terms energy: -490.272812 where: bonds (distance) C4'-P energy: -83.720 bonds (distance) P-C4' energy: -88.702 flat angles C4'-P-C4' energy: -101.557 flat angles P-C4'-P energy: -75.832 tors. eta vs tors. theta energy: -140.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1430.956653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.956653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.956653 (E_RNA) where: Base-Base interactions energy: -983.150 where: short stacking energy: -404.326 Base-Backbone interact. energy: -1.625 local terms energy: -446.181604 where: bonds (distance) C4'-P energy: -77.654 bonds (distance) P-C4' energy: -85.776 flat angles C4'-P-C4' energy: -108.892 flat angles P-C4'-P energy: -60.124 tors. eta vs tors. theta energy: -113.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1420.704838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.704838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.704838 (E_RNA) where: Base-Base interactions energy: -995.945 where: short stacking energy: -418.597 Base-Backbone interact. energy: 2.453 local terms energy: -427.213309 where: bonds (distance) C4'-P energy: -81.431 bonds (distance) P-C4' energy: -76.963 flat angles C4'-P-C4' energy: -92.290 flat angles P-C4'-P energy: -63.739 tors. eta vs tors. theta energy: -112.791 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: 5, replica: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1333.256207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.256207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.256207 (E_RNA) where: Base-Base interactions energy: -903.458 where: short stacking energy: -356.966 Base-Backbone interact. energy: -1.521 local terms energy: -428.277561 where: bonds (distance) C4'-P energy: -94.284 bonds (distance) P-C4' energy: -83.683 flat angles C4'-P-C4' energy: -81.341 flat angles P-C4'-P energy: -66.108 tors. eta vs tors. theta energy: -102.861 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: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1159.161183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.161183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.161183 (E_RNA) where: Base-Base interactions energy: -769.823 where: short stacking energy: -366.314 Base-Backbone interact. energy: -0.606 local terms energy: -388.732110 where: bonds (distance) C4'-P energy: -74.692 bonds (distance) P-C4' energy: -69.780 flat angles C4'-P-C4' energy: -86.151 flat angles P-C4'-P energy: -54.037 tors. eta vs tors. theta energy: -104.073 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: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -924.883586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.883586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.883586 (E_RNA) where: Base-Base interactions energy: -570.236 where: short stacking energy: -267.472 Base-Backbone interact. energy: 4.229 local terms energy: -358.876706 where: bonds (distance) C4'-P energy: -76.362 bonds (distance) P-C4' energy: -82.381 flat angles C4'-P-C4' energy: -81.198 flat angles P-C4'-P energy: -54.558 tors. eta vs tors. theta energy: -64.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -778.563488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.563488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.563488 (E_RNA) where: Base-Base interactions energy: -460.768 where: short stacking energy: -203.871 Base-Backbone interact. energy: 0.440 local terms energy: -318.235936 where: bonds (distance) C4'-P energy: -69.666 bonds (distance) P-C4' energy: -92.429 flat angles C4'-P-C4' energy: -84.876 flat angles P-C4'-P energy: -45.163 tors. eta vs tors. theta energy: -26.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -540.314565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.314565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.314565 (E_RNA) where: Base-Base interactions energy: -305.604 where: short stacking energy: -149.868 Base-Backbone interact. energy: -3.982 local terms energy: -230.728275 where: bonds (distance) C4'-P energy: -52.226 bonds (distance) P-C4' energy: -74.323 flat angles C4'-P-C4' energy: -73.648 flat angles P-C4'-P energy: -29.251 tors. eta vs tors. theta energy: -1.282 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: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -505.381541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.381541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.381541 (E_RNA) where: Base-Base interactions energy: -260.479 where: short stacking energy: -134.407 Base-Backbone interact. energy: 0.718 local terms energy: -245.620261 where: bonds (distance) C4'-P energy: -70.620 bonds (distance) P-C4' energy: -74.794 flat angles C4'-P-C4' energy: -68.798 flat angles P-C4'-P energy: -36.364 tors. eta vs tors. theta energy: 4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1628.372756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.372756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.372756 (E_RNA) where: Base-Base interactions energy: -1123.616 where: short stacking energy: -454.757 Base-Backbone interact. energy: -1.232 local terms energy: -503.525262 where: bonds (distance) C4'-P energy: -92.173 bonds (distance) P-C4' energy: -93.549 flat angles C4'-P-C4' energy: -101.826 flat angles P-C4'-P energy: -79.031 tors. eta vs tors. theta energy: -136.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1531.212507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.212507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.212507 (E_RNA) where: Base-Base interactions energy: -1071.551 where: short stacking energy: -449.468 Base-Backbone interact. energy: -0.981 local terms energy: -458.680805 where: bonds (distance) C4'-P energy: -90.206 bonds (distance) P-C4' energy: -77.852 flat angles C4'-P-C4' energy: -93.483 flat angles P-C4'-P energy: -57.379 tors. eta vs tors. theta energy: -139.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1465.838335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.838335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.838335 (E_RNA) where: Base-Base interactions energy: -1007.906 where: short stacking energy: -414.817 Base-Backbone interact. energy: -2.053 local terms energy: -455.878671 where: bonds (distance) C4'-P energy: -82.824 bonds (distance) P-C4' energy: -83.046 flat angles C4'-P-C4' energy: -104.841 flat angles P-C4'-P energy: -67.456 tors. eta vs tors. theta energy: -117.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1456.232523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.232523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.232523 (E_RNA) where: Base-Base interactions energy: -1001.504 where: short stacking energy: -388.802 Base-Backbone interact. energy: 3.377 local terms energy: -458.105870 where: bonds (distance) C4'-P energy: -93.879 bonds (distance) P-C4' energy: -101.523 flat angles C4'-P-C4' energy: -87.124 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: -108.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1321.287613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.287613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.287613 (E_RNA) where: Base-Base interactions energy: -890.266 where: short stacking energy: -364.262 Base-Backbone interact. energy: -3.026 local terms energy: -427.996298 where: bonds (distance) C4'-P energy: -83.772 bonds (distance) P-C4' energy: -79.787 flat angles C4'-P-C4' energy: -87.654 flat angles P-C4'-P energy: -62.765 tors. eta vs tors. theta energy: -114.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1168.773473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.773473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.773473 (E_RNA) where: Base-Base interactions energy: -788.330 where: short stacking energy: -349.038 Base-Backbone interact. energy: -2.218 local terms energy: -378.225529 where: bonds (distance) C4'-P energy: -79.697 bonds (distance) P-C4' energy: -77.119 flat angles C4'-P-C4' energy: -80.466 flat angles P-C4'-P energy: -47.055 tors. eta vs tors. theta energy: -93.888 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: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -908.756571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.756571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.756571 (E_RNA) where: Base-Base interactions energy: -570.556 where: short stacking energy: -265.064 Base-Backbone interact. energy: 0.773 local terms energy: -338.973836 where: bonds (distance) C4'-P energy: -79.179 bonds (distance) P-C4' energy: -78.268 flat angles C4'-P-C4' energy: -75.991 flat angles P-C4'-P energy: -38.510 tors. eta vs tors. theta energy: -67.025 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: 8, replica: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -766.847860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.847860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.847860 (E_RNA) where: Base-Base interactions energy: -480.997 where: short stacking energy: -222.936 Base-Backbone interact. energy: 6.186 local terms energy: -292.036607 where: bonds (distance) C4'-P energy: -58.245 bonds (distance) P-C4' energy: -71.819 flat angles C4'-P-C4' energy: -66.682 flat angles P-C4'-P energy: -52.053 tors. eta vs tors. theta energy: -43.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -548.912724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.912724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.912724 (E_RNA) where: Base-Base interactions energy: -290.441 where: short stacking energy: -168.519 Base-Backbone interact. energy: 3.979 local terms energy: -262.450418 where: bonds (distance) C4'-P energy: -65.838 bonds (distance) P-C4' energy: -67.547 flat angles C4'-P-C4' energy: -74.627 flat angles P-C4'-P energy: -48.781 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -540.131507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.131507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.131507 (E_RNA) where: Base-Base interactions energy: -269.361 where: short stacking energy: -135.789 Base-Backbone interact. energy: -1.500 local terms energy: -269.270706 where: bonds (distance) C4'-P energy: -72.696 bonds (distance) P-C4' energy: -83.706 flat angles C4'-P-C4' energy: -52.406 flat angles P-C4'-P energy: -53.097 tors. eta vs tors. theta energy: -7.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1630.924151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.924151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.924151 (E_RNA) where: Base-Base interactions energy: -1121.701 where: short stacking energy: -462.279 Base-Backbone interact. energy: -3.692 local terms energy: -505.530937 where: bonds (distance) C4'-P energy: -98.102 bonds (distance) P-C4' energy: -89.873 flat angles C4'-P-C4' energy: -101.514 flat angles P-C4'-P energy: -73.603 tors. eta vs tors. theta energy: -142.438 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: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1564.697973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.697973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.697973 (E_RNA) where: Base-Base interactions energy: -1076.514 where: short stacking energy: -447.053 Base-Backbone interact. energy: 1.845 local terms energy: -490.029280 where: bonds (distance) C4'-P energy: -81.210 bonds (distance) P-C4' energy: -94.468 flat angles C4'-P-C4' energy: -102.305 flat angles P-C4'-P energy: -66.463 tors. eta vs tors. theta energy: -145.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1467.714003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.714003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.714003 (E_RNA) where: Base-Base interactions energy: -984.588 where: short stacking energy: -412.168 Base-Backbone interact. energy: -2.719 local terms energy: -480.406520 where: bonds (distance) C4'-P energy: -82.642 bonds (distance) P-C4' energy: -92.733 flat angles C4'-P-C4' energy: -102.171 flat angles P-C4'-P energy: -75.821 tors. eta vs tors. theta energy: -127.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1442.618316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.618316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.618316 (E_RNA) where: Base-Base interactions energy: -1009.864 where: short stacking energy: -415.223 Base-Backbone interact. energy: -0.968 local terms energy: -431.786469 where: bonds (distance) C4'-P energy: -76.564 bonds (distance) P-C4' energy: -80.937 flat angles C4'-P-C4' energy: -84.852 flat angles P-C4'-P energy: -74.057 tors. eta vs tors. theta energy: -115.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1326.097771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.097771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.097771 (E_RNA) where: Base-Base interactions energy: -922.116 where: short stacking energy: -366.608 Base-Backbone interact. energy: 0.421 local terms energy: -404.403501 where: bonds (distance) C4'-P energy: -74.381 bonds (distance) P-C4' energy: -86.511 flat angles C4'-P-C4' energy: -82.073 flat angles P-C4'-P energy: -56.820 tors. eta vs tors. theta energy: -104.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1113.628606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.628606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.628606 (E_RNA) where: Base-Base interactions energy: -754.918 where: short stacking energy: -322.891 Base-Backbone interact. energy: -0.754 local terms energy: -357.957323 where: bonds (distance) C4'-P energy: -75.409 bonds (distance) P-C4' energy: -66.982 flat angles C4'-P-C4' energy: -86.723 flat angles P-C4'-P energy: -49.085 tors. eta vs tors. theta energy: -79.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -930.444066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.444066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.444066 (E_RNA) where: Base-Base interactions energy: -591.187 where: short stacking energy: -296.714 Base-Backbone interact. energy: 1.222 local terms energy: -340.479716 where: bonds (distance) C4'-P energy: -71.403 bonds (distance) P-C4' energy: -80.192 flat angles C4'-P-C4' energy: -80.086 flat angles P-C4'-P energy: -36.574 tors. eta vs tors. theta energy: -72.224 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: 7 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -742.434150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.434150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.434150 (E_RNA) where: Base-Base interactions energy: -435.109 where: short stacking energy: -210.598 Base-Backbone interact. energy: -0.088 local terms energy: -307.237687 where: bonds (distance) C4'-P energy: -65.652 bonds (distance) P-C4' energy: -84.366 flat angles C4'-P-C4' energy: -80.511 flat angles P-C4'-P energy: -51.906 tors. eta vs tors. theta energy: -24.803 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: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -552.766895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.766895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.766895 (E_RNA) where: Base-Base interactions energy: -292.359 where: short stacking energy: -161.112 Base-Backbone interact. energy: 1.060 local terms energy: -261.467714 where: bonds (distance) C4'-P energy: -62.517 bonds (distance) P-C4' energy: -68.440 flat angles C4'-P-C4' energy: -68.874 flat angles P-C4'-P energy: -50.350 tors. eta vs tors. theta energy: -11.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -549.825732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.825732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.825732 (E_RNA) where: Base-Base interactions energy: -296.868 where: short stacking energy: -163.246 Base-Backbone interact. energy: 3.153 local terms energy: -256.110786 where: bonds (distance) C4'-P energy: -76.179 bonds (distance) P-C4' energy: -64.916 flat angles C4'-P-C4' energy: -72.420 flat angles P-C4'-P energy: -35.092 tors. eta vs tors. theta energy: -7.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1635.591473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.591473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.591473 (E_RNA) where: Base-Base interactions energy: -1143.525 where: short stacking energy: -482.282 Base-Backbone interact. energy: -0.927 local terms energy: -491.139798 where: bonds (distance) C4'-P energy: -83.631 bonds (distance) P-C4' energy: -91.811 flat angles C4'-P-C4' energy: -105.378 flat angles P-C4'-P energy: -70.104 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: 2, replica: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1561.331925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.331925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.331925 (E_RNA) where: Base-Base interactions energy: -1078.915 where: short stacking energy: -446.633 Base-Backbone interact. energy: -0.896 local terms energy: -481.520510 where: bonds (distance) C4'-P energy: -79.616 bonds (distance) P-C4' energy: -82.277 flat angles C4'-P-C4' energy: -103.720 flat angles P-C4'-P energy: -68.160 tors. eta vs tors. theta energy: -147.747 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: 4 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1483.389397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.389397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.389397 (E_RNA) where: Base-Base interactions energy: -1006.119 where: short stacking energy: -428.533 Base-Backbone interact. energy: -2.700 local terms energy: -474.570471 where: bonds (distance) C4'-P energy: -88.702 bonds (distance) P-C4' energy: -94.088 flat angles C4'-P-C4' energy: -102.975 flat angles P-C4'-P energy: -65.807 tors. eta vs tors. theta energy: -122.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1471.665404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.665404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.665404 (E_RNA) where: Base-Base interactions energy: -1029.132 where: short stacking energy: -407.743 Base-Backbone interact. energy: -0.311 local terms energy: -442.222415 where: bonds (distance) C4'-P energy: -83.283 bonds (distance) P-C4' energy: -74.453 flat angles C4'-P-C4' energy: -98.343 flat angles P-C4'-P energy: -62.253 tors. eta vs tors. theta energy: -123.892 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: 3 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1335.201781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.201781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.201781 (E_RNA) where: Base-Base interactions energy: -893.313 where: short stacking energy: -394.532 Base-Backbone interact. energy: -2.904 local terms energy: -438.985086 where: bonds (distance) C4'-P energy: -76.087 bonds (distance) P-C4' energy: -83.250 flat angles C4'-P-C4' energy: -105.636 flat angles P-C4'-P energy: -60.063 tors. eta vs tors. theta energy: -113.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1103.538453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.538453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.538453 (E_RNA) where: Base-Base interactions energy: -727.593 where: short stacking energy: -288.428 Base-Backbone interact. energy: -2.632 local terms energy: -373.312931 where: bonds (distance) C4'-P energy: -79.970 bonds (distance) P-C4' energy: -80.923 flat angles C4'-P-C4' energy: -84.479 flat angles P-C4'-P energy: -49.300 tors. eta vs tors. theta energy: -78.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1050.372053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.372053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.372053 (E_RNA) where: Base-Base interactions energy: -674.716 where: short stacking energy: -279.615 Base-Backbone interact. energy: -1.354 local terms energy: -374.302902 where: bonds (distance) C4'-P energy: -86.272 bonds (distance) P-C4' energy: -71.093 flat angles C4'-P-C4' energy: -86.636 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: -75.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -767.989207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.989207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.989207 (E_RNA) where: Base-Base interactions energy: -462.210 where: short stacking energy: -211.908 Base-Backbone interact. energy: -0.602 local terms energy: -305.177296 where: bonds (distance) C4'-P energy: -59.679 bonds (distance) P-C4' energy: -85.879 flat angles C4'-P-C4' energy: -81.699 flat angles P-C4'-P energy: -50.424 tors. eta vs tors. theta energy: -27.497 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: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -555.456723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.456723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.456723 (E_RNA) where: Base-Base interactions energy: -280.198 where: short stacking energy: -157.291 Base-Backbone interact. energy: -0.622 local terms energy: -274.637510 where: bonds (distance) C4'-P energy: -59.708 bonds (distance) P-C4' energy: -79.169 flat angles C4'-P-C4' energy: -75.156 flat angles P-C4'-P energy: -51.132 tors. eta vs tors. theta energy: -9.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -530.555301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.555301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.555301 (E_RNA) where: Base-Base interactions energy: -276.508 where: short stacking energy: -143.224 Base-Backbone interact. energy: -3.527 local terms energy: -250.520085 where: bonds (distance) C4'-P energy: -73.695 bonds (distance) P-C4' energy: -66.928 flat angles C4'-P-C4' energy: -69.910 flat angles P-C4'-P energy: -49.373 tors. eta vs tors. theta energy: 9.385 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: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1629.952292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.952292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.952292 (E_RNA) where: Base-Base interactions energy: -1121.923 where: short stacking energy: -469.966 Base-Backbone interact. energy: -1.746 local terms energy: -506.283805 where: bonds (distance) C4'-P energy: -86.714 bonds (distance) P-C4' energy: -89.889 flat angles C4'-P-C4' energy: -103.974 flat angles P-C4'-P energy: -80.668 tors. eta vs tors. theta energy: -145.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1540.258454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.258454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.258454 (E_RNA) where: Base-Base interactions energy: -1058.376 where: short stacking energy: -450.717 Base-Backbone interact. energy: -1.598 local terms energy: -480.285080 where: bonds (distance) C4'-P energy: -77.247 bonds (distance) P-C4' energy: -90.311 flat angles C4'-P-C4' energy: -96.759 flat angles P-C4'-P energy: -79.366 tors. eta vs tors. theta energy: -136.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1463.963848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.963848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.963848 (E_RNA) where: Base-Base interactions energy: -989.893 where: short stacking energy: -417.690 Base-Backbone interact. energy: -1.577 local terms energy: -472.494068 where: bonds (distance) C4'-P energy: -84.343 bonds (distance) P-C4' energy: -91.467 flat angles C4'-P-C4' energy: -98.594 flat angles P-C4'-P energy: -71.628 tors. eta vs tors. theta energy: -126.462 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: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1460.284774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.284774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.284774 (E_RNA) where: Base-Base interactions energy: -1002.136 where: short stacking energy: -408.769 Base-Backbone interact. energy: -0.756 local terms energy: -457.392395 where: bonds (distance) C4'-P energy: -84.408 bonds (distance) P-C4' energy: -91.314 flat angles C4'-P-C4' energy: -92.738 flat angles P-C4'-P energy: -63.001 tors. eta vs tors. theta energy: -125.932 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: 5, replica: 3 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1329.126519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.126519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.126519 (E_RNA) where: Base-Base interactions energy: -909.323 where: short stacking energy: -375.456 Base-Backbone interact. energy: -0.858 local terms energy: -418.946282 where: bonds (distance) C4'-P energy: -70.744 bonds (distance) P-C4' energy: -88.744 flat angles C4'-P-C4' energy: -91.306 flat angles P-C4'-P energy: -64.379 tors. eta vs tors. theta energy: -103.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1141.106758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.106758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.106758 (E_RNA) where: Base-Base interactions energy: -768.295 where: short stacking energy: -306.987 Base-Backbone interact. energy: -0.634 local terms energy: -372.178412 where: bonds (distance) C4'-P energy: -79.629 bonds (distance) P-C4' energy: -65.575 flat angles C4'-P-C4' energy: -89.609 flat angles P-C4'-P energy: -54.394 tors. eta vs tors. theta energy: -82.972 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: 7, replica: 1 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1057.099023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.099023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.099023 (E_RNA) where: Base-Base interactions energy: -694.471 where: short stacking energy: -298.536 Base-Backbone interact. energy: 0.074 local terms energy: -362.702700 where: bonds (distance) C4'-P energy: -74.791 bonds (distance) P-C4' energy: -83.217 flat angles C4'-P-C4' energy: -85.080 flat angles P-C4'-P energy: -44.163 tors. eta vs tors. theta energy: -75.452 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: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -812.011823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.011823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.011823 (E_RNA) where: Base-Base interactions energy: -473.886 where: short stacking energy: -215.074 Base-Backbone interact. energy: 1.455 local terms energy: -339.580964 where: bonds (distance) C4'-P energy: -81.980 bonds (distance) P-C4' energy: -87.165 flat angles C4'-P-C4' energy: -83.469 flat angles P-C4'-P energy: -43.275 tors. eta vs tors. theta energy: -43.692 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: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -559.462004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.462004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.462004 (E_RNA) where: Base-Base interactions energy: -285.816 where: short stacking energy: -145.957 Base-Backbone interact. energy: 0.506 local terms energy: -274.152767 where: bonds (distance) C4'-P energy: -72.115 bonds (distance) P-C4' energy: -87.721 flat angles C4'-P-C4' energy: -66.625 flat angles P-C4'-P energy: -39.120 tors. eta vs tors. theta energy: -8.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -515.022764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.022764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.022764 (E_RNA) where: Base-Base interactions energy: -247.557 where: short stacking energy: -123.595 Base-Backbone interact. energy: -2.169 local terms energy: -265.296238 where: bonds (distance) C4'-P energy: -84.909 bonds (distance) P-C4' energy: -71.070 flat angles C4'-P-C4' energy: -71.436 flat angles P-C4'-P energy: -42.167 tors. eta vs tors. theta energy: 4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1626.073747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.073747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.073747 (E_RNA) where: Base-Base interactions energy: -1141.495 where: short stacking energy: -470.316 Base-Backbone interact. energy: -2.858 local terms energy: -481.720824 where: bonds (distance) C4'-P energy: -94.187 bonds (distance) P-C4' energy: -86.599 flat angles C4'-P-C4' energy: -99.902 flat angles P-C4'-P energy: -72.697 tors. eta vs tors. theta energy: -128.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1549.775132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.775132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.775132 (E_RNA) where: Base-Base interactions energy: -1076.118 where: short stacking energy: -468.342 Base-Backbone interact. energy: 0.801 local terms energy: -474.457624 where: bonds (distance) C4'-P energy: -79.519 bonds (distance) P-C4' energy: -91.474 flat angles C4'-P-C4' energy: -103.264 flat angles P-C4'-P energy: -60.863 tors. eta vs tors. theta energy: -139.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1470.061250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.061250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.061250 (E_RNA) where: Base-Base interactions energy: -989.543 where: short stacking energy: -419.988 Base-Backbone interact. energy: -3.489 local terms energy: -477.029835 where: bonds (distance) C4'-P energy: -83.091 bonds (distance) P-C4' energy: -95.214 flat angles C4'-P-C4' energy: -98.422 flat angles P-C4'-P energy: -69.840 tors. eta vs tors. theta energy: -130.463 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: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1480.657655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.657655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.657655 (E_RNA) where: Base-Base interactions energy: -1048.336 where: short stacking energy: -426.108 Base-Backbone interact. energy: 2.698 local terms energy: -435.019487 where: bonds (distance) C4'-P energy: -73.784 bonds (distance) P-C4' energy: -76.989 flat angles C4'-P-C4' energy: -102.313 flat angles P-C4'-P energy: -61.530 tors. eta vs tors. theta energy: -120.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1340.334571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.334571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.334571 (E_RNA) where: Base-Base interactions energy: -911.038 where: short stacking energy: -396.791 Base-Backbone interact. energy: -0.624 local terms energy: -428.672278 where: bonds (distance) C4'-P energy: -77.599 bonds (distance) P-C4' energy: -82.443 flat angles C4'-P-C4' energy: -95.534 flat angles P-C4'-P energy: -60.104 tors. eta vs tors. theta energy: -112.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1107.468218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.468218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.468218 (E_RNA) where: Base-Base interactions energy: -726.119 where: short stacking energy: -320.266 Base-Backbone interact. energy: -2.782 local terms energy: -378.567207 where: bonds (distance) C4'-P energy: -73.067 bonds (distance) P-C4' energy: -79.708 flat angles C4'-P-C4' energy: -86.853 flat angles P-C4'-P energy: -53.317 tors. eta vs tors. theta energy: -85.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1040.782401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.782401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.782401 (E_RNA) where: Base-Base interactions energy: -678.786 where: short stacking energy: -306.658 Base-Backbone interact. energy: 1.191 local terms energy: -363.187944 where: bonds (distance) C4'-P energy: -77.377 bonds (distance) P-C4' energy: -84.188 flat angles C4'-P-C4' energy: -71.546 flat angles P-C4'-P energy: -56.390 tors. eta vs tors. theta energy: -73.686 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: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -713.455445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.455445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.455445 (E_RNA) where: Base-Base interactions energy: -416.022 where: short stacking energy: -197.705 Base-Backbone interact. energy: -0.638 local terms energy: -296.795350 where: bonds (distance) C4'-P energy: -78.666 bonds (distance) P-C4' energy: -83.868 flat angles C4'-P-C4' energy: -76.338 flat angles P-C4'-P energy: -25.515 tors. eta vs tors. theta energy: -32.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -527.874848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.874848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.874848 (E_RNA) where: Base-Base interactions energy: -257.835 where: short stacking energy: -150.405 Base-Backbone interact. energy: 0.589 local terms energy: -270.628293 where: bonds (distance) C4'-P energy: -80.631 bonds (distance) P-C4' energy: -69.019 flat angles C4'-P-C4' energy: -73.614 flat angles P-C4'-P energy: -42.627 tors. eta vs tors. theta energy: -4.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -530.757774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.757774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.757774 (E_RNA) where: Base-Base interactions energy: -278.560 where: short stacking energy: -144.913 Base-Backbone interact. energy: -1.606 local terms energy: -250.592345 where: bonds (distance) C4'-P energy: -69.808 bonds (distance) P-C4' energy: -60.858 flat angles C4'-P-C4' energy: -77.885 flat angles P-C4'-P energy: -36.436 tors. eta vs tors. theta energy: -5.605 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: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1623.633412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.633412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.633412 (E_RNA) where: Base-Base interactions energy: -1149.734 where: short stacking energy: -438.894 Base-Backbone interact. energy: -1.210 local terms energy: -472.689087 where: bonds (distance) C4'-P energy: -82.046 bonds (distance) P-C4' energy: -94.031 flat angles C4'-P-C4' energy: -105.013 flat angles P-C4'-P energy: -66.176 tors. eta vs tors. theta energy: -125.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1542.776020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.776020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.776020 (E_RNA) where: Base-Base interactions energy: -1053.047 where: short stacking energy: -452.958 Base-Backbone interact. energy: -1.556 local terms energy: -488.173006 where: bonds (distance) C4'-P energy: -82.704 bonds (distance) P-C4' energy: -89.878 flat angles C4'-P-C4' energy: -102.652 flat angles P-C4'-P energy: -77.307 tors. eta vs tors. theta energy: -135.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1487.773343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.773343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.773343 (E_RNA) where: Base-Base interactions energy: -1050.312 where: short stacking energy: -428.146 Base-Backbone interact. energy: 4.075 local terms energy: -441.536458 where: bonds (distance) C4'-P energy: -75.872 bonds (distance) P-C4' energy: -90.149 flat angles C4'-P-C4' energy: -89.911 flat angles P-C4'-P energy: -63.808 tors. eta vs tors. theta energy: -121.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1452.792828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.792828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.792828 (E_RNA) where: Base-Base interactions energy: -1004.618 where: short stacking energy: -402.312 Base-Backbone interact. energy: -2.836 local terms energy: -445.338878 where: bonds (distance) C4'-P energy: -80.828 bonds (distance) P-C4' energy: -93.960 flat angles C4'-P-C4' energy: -94.793 flat angles P-C4'-P energy: -64.744 tors. eta vs tors. theta energy: -111.014 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: 3 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1339.165569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.165569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.165569 (E_RNA) where: Base-Base interactions energy: -913.129 where: short stacking energy: -388.701 Base-Backbone interact. energy: -0.902 local terms energy: -425.133884 where: bonds (distance) C4'-P energy: -76.985 bonds (distance) P-C4' energy: -87.855 flat angles C4'-P-C4' energy: -86.427 flat angles P-C4'-P energy: -64.430 tors. eta vs tors. theta energy: -109.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1142.352711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.352711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.352711 (E_RNA) where: Base-Base interactions energy: -768.600 where: short stacking energy: -326.108 Base-Backbone interact. energy: -2.436 local terms energy: -371.315887 where: bonds (distance) C4'-P energy: -73.315 bonds (distance) P-C4' energy: -85.894 flat angles C4'-P-C4' energy: -84.499 flat angles P-C4'-P energy: -51.392 tors. eta vs tors. theta energy: -76.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1028.940593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.940593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.940593 (E_RNA) where: Base-Base interactions energy: -649.154 where: short stacking energy: -303.477 Base-Backbone interact. energy: -0.640 local terms energy: -379.146690 where: bonds (distance) C4'-P energy: -76.572 bonds (distance) P-C4' energy: -73.428 flat angles C4'-P-C4' energy: -81.902 flat angles P-C4'-P energy: -62.107 tors. eta vs tors. theta energy: -85.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -691.547847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.547847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.547847 (E_RNA) where: Base-Base interactions energy: -383.736 where: short stacking energy: -199.132 Base-Backbone interact. energy: -0.387 local terms energy: -307.424932 where: bonds (distance) C4'-P energy: -76.463 bonds (distance) P-C4' energy: -95.208 flat angles C4'-P-C4' energy: -71.409 flat angles P-C4'-P energy: -46.868 tors. eta vs tors. theta energy: -17.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -545.543833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.543833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.543833 (E_RNA) where: Base-Base interactions energy: -281.737 where: short stacking energy: -138.758 Base-Backbone interact. energy: -0.679 local terms energy: -263.128201 where: bonds (distance) C4'-P energy: -77.390 bonds (distance) P-C4' energy: -74.268 flat angles C4'-P-C4' energy: -63.242 flat angles P-C4'-P energy: -42.552 tors. eta vs tors. theta energy: -5.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -523.987627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.987627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.987627 (E_RNA) where: Base-Base interactions energy: -268.041 where: short stacking energy: -163.847 Base-Backbone interact. energy: 0.415 local terms energy: -256.362107 where: bonds (distance) C4'-P energy: -68.638 bonds (distance) P-C4' energy: -79.368 flat angles C4'-P-C4' energy: -64.443 flat angles P-C4'-P energy: -35.116 tors. eta vs tors. theta energy: -8.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1625.165269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.165269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.165269 (E_RNA) where: Base-Base interactions energy: -1123.209 where: short stacking energy: -465.441 Base-Backbone interact. energy: -4.368 local terms energy: -497.588102 where: bonds (distance) C4'-P energy: -90.764 bonds (distance) P-C4' energy: -95.611 flat angles C4'-P-C4' energy: -96.226 flat angles P-C4'-P energy: -67.985 tors. eta vs tors. theta energy: -147.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1543.564509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.564509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.564509 (E_RNA) where: Base-Base interactions energy: -1059.839 where: short stacking energy: -458.763 Base-Backbone interact. energy: -2.966 local terms energy: -480.758763 where: bonds (distance) C4'-P energy: -91.489 bonds (distance) P-C4' energy: -82.178 flat angles C4'-P-C4' energy: -103.993 flat angles P-C4'-P energy: -63.831 tors. eta vs tors. theta energy: -139.267 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: 8 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1491.630961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.630961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.630961 (E_RNA) where: Base-Base interactions energy: -1050.950 where: short stacking energy: -408.334 Base-Backbone interact. energy: 1.186 local terms energy: -441.867361 where: bonds (distance) C4'-P energy: -90.680 bonds (distance) P-C4' energy: -83.538 flat angles C4'-P-C4' energy: -90.704 flat angles P-C4'-P energy: -64.355 tors. eta vs tors. theta energy: -112.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1418.949623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.949623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.949623 (E_RNA) where: Base-Base interactions energy: -968.624 where: short stacking energy: -403.175 Base-Backbone interact. energy: -0.828 local terms energy: -449.497638 where: bonds (distance) C4'-P energy: -82.442 bonds (distance) P-C4' energy: -90.846 flat angles C4'-P-C4' energy: -99.646 flat angles P-C4'-P energy: -64.901 tors. eta vs tors. theta energy: -111.664 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: 3 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1293.149711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.149711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.149711 (E_RNA) where: Base-Base interactions energy: -870.222 where: short stacking energy: -354.844 Base-Backbone interact. energy: -0.744 local terms energy: -422.183790 where: bonds (distance) C4'-P energy: -96.544 bonds (distance) P-C4' energy: -75.024 flat angles C4'-P-C4' energy: -88.883 flat angles P-C4'-P energy: -57.225 tors. eta vs tors. theta energy: -104.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1187.565884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.565884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.565884 (E_RNA) where: Base-Base interactions energy: -764.717 where: short stacking energy: -331.964 Base-Backbone interact. energy: -1.005 local terms energy: -421.843228 where: bonds (distance) C4'-P energy: -70.751 bonds (distance) P-C4' energy: -87.407 flat angles C4'-P-C4' energy: -98.991 flat angles P-C4'-P energy: -65.541 tors. eta vs tors. theta energy: -99.152 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: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1014.854805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.854805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.854805 (E_RNA) where: Base-Base interactions energy: -626.939 where: short stacking energy: -291.733 Base-Backbone interact. energy: -0.867 local terms energy: -387.048570 where: bonds (distance) C4'-P energy: -86.342 bonds (distance) P-C4' energy: -78.263 flat angles C4'-P-C4' energy: -83.524 flat angles P-C4'-P energy: -54.576 tors. eta vs tors. theta energy: -84.343 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: 357 Temperature: 1.250000 Total energy: -591.176951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.176951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.176951 (E_RNA) where: Base-Base interactions energy: -296.655 where: short stacking energy: -167.791 Base-Backbone interact. energy: -1.450 local terms energy: -293.072107 where: bonds (distance) C4'-P energy: -76.926 bonds (distance) P-C4' energy: -91.101 flat angles C4'-P-C4' energy: -79.390 flat angles P-C4'-P energy: -42.827 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -696.837430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.837430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.837430 (E_RNA) where: Base-Base interactions energy: -408.443 where: short stacking energy: -198.764 Base-Backbone interact. energy: -0.924 local terms energy: -287.471102 where: bonds (distance) C4'-P energy: -73.063 bonds (distance) P-C4' energy: -63.000 flat angles C4'-P-C4' energy: -61.516 flat angles P-C4'-P energy: -46.187 tors. eta vs tors. theta energy: -43.705 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: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -499.447607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.447607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.447607 (E_RNA) where: Base-Base interactions energy: -245.485 where: short stacking energy: -135.231 Base-Backbone interact. energy: -0.819 local terms energy: -253.143506 where: bonds (distance) C4'-P energy: -73.951 bonds (distance) P-C4' energy: -75.874 flat angles C4'-P-C4' energy: -72.011 flat angles P-C4'-P energy: -24.114 tors. eta vs tors. theta energy: -7.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1631.910942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.910942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.910942 (E_RNA) where: Base-Base interactions energy: -1134.026 where: short stacking energy: -445.691 Base-Backbone interact. energy: -4.247 local terms energy: -493.637896 where: bonds (distance) C4'-P energy: -86.497 bonds (distance) P-C4' energy: -95.849 flat angles C4'-P-C4' energy: -103.623 flat angles P-C4'-P energy: -77.274 tors. eta vs tors. theta energy: -130.395 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: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1550.898537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.898537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.898537 (E_RNA) where: Base-Base interactions energy: -1083.750 where: short stacking energy: -468.458 Base-Backbone interact. energy: -0.696 local terms energy: -466.452519 where: bonds (distance) C4'-P energy: -81.038 bonds (distance) P-C4' energy: -93.425 flat angles C4'-P-C4' energy: -94.806 flat angles P-C4'-P energy: -60.686 tors. eta vs tors. theta energy: -136.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1507.005388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.005388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.005388 (E_RNA) where: Base-Base interactions energy: -1047.579 where: short stacking energy: -417.577 Base-Backbone interact. energy: -0.377 local terms energy: -459.049751 where: bonds (distance) C4'-P energy: -81.347 bonds (distance) P-C4' energy: -86.935 flat angles C4'-P-C4' energy: -99.172 flat angles P-C4'-P energy: -66.198 tors. eta vs tors. theta energy: -125.397 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: 4 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1446.836682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.836682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.836682 (E_RNA) where: Base-Base interactions energy: -989.371 where: short stacking energy: -408.834 Base-Backbone interact. energy: 0.009 local terms energy: -457.475390 where: bonds (distance) C4'-P energy: -82.289 bonds (distance) P-C4' energy: -98.508 flat angles C4'-P-C4' energy: -96.523 flat angles P-C4'-P energy: -67.281 tors. eta vs tors. theta energy: -112.875 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: 5, replica: 3 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1311.408076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.408076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.408076 (E_RNA) where: Base-Base interactions energy: -904.031 where: short stacking energy: -368.586 Base-Backbone interact. energy: -2.024 local terms energy: -405.353265 where: bonds (distance) C4'-P energy: -81.639 bonds (distance) P-C4' energy: -93.759 flat angles C4'-P-C4' energy: -88.588 flat angles P-C4'-P energy: -48.267 tors. eta vs tors. theta energy: -93.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1207.304651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.304651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.304651 (E_RNA) where: Base-Base interactions energy: -802.484 where: short stacking energy: -369.226 Base-Backbone interact. energy: -3.287 local terms energy: -401.533306 where: bonds (distance) C4'-P energy: -60.979 bonds (distance) P-C4' energy: -76.630 flat angles C4'-P-C4' energy: -97.522 flat angles P-C4'-P energy: -61.664 tors. eta vs tors. theta energy: -104.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -950.448353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.448353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.448353 (E_RNA) where: Base-Base interactions energy: -608.983 where: short stacking energy: -251.724 Base-Backbone interact. energy: 2.406 local terms energy: -343.871849 where: bonds (distance) C4'-P energy: -58.423 bonds (distance) P-C4' energy: -86.331 flat angles C4'-P-C4' energy: -81.515 flat angles P-C4'-P energy: -58.053 tors. eta vs tors. theta energy: -59.549 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: 358 Temperature: 1.250000 Total energy: -570.456404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.456404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.456404 (E_RNA) where: Base-Base interactions energy: -274.740 where: short stacking energy: -151.267 Base-Backbone interact. energy: -1.417 local terms energy: -294.299560 where: bonds (distance) C4'-P energy: -89.585 bonds (distance) P-C4' energy: -69.770 flat angles C4'-P-C4' energy: -72.179 flat angles P-C4'-P energy: -54.124 tors. eta vs tors. theta energy: -8.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -659.551041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.551041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.551041 (E_RNA) where: Base-Base interactions energy: -376.757 where: short stacking energy: -187.067 Base-Backbone interact. energy: 1.559 local terms energy: -284.353472 where: bonds (distance) C4'-P energy: -71.872 bonds (distance) P-C4' energy: -72.736 flat angles C4'-P-C4' energy: -65.661 flat angles P-C4'-P energy: -59.162 tors. eta vs tors. theta energy: -14.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -545.766670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.766670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.766670 (E_RNA) where: Base-Base interactions energy: -274.166 where: short stacking energy: -163.045 Base-Backbone interact. energy: -1.469 local terms energy: -270.132475 where: bonds (distance) C4'-P energy: -73.628 bonds (distance) P-C4' energy: -86.267 flat angles C4'-P-C4' energy: -65.691 flat angles P-C4'-P energy: -42.607 tors. eta vs tors. theta energy: -1.940 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: 1, replica: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1618.724984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.724984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.724984 (E_RNA) where: Base-Base interactions energy: -1118.789 where: short stacking energy: -453.049 Base-Backbone interact. energy: -2.361 local terms energy: -497.575468 where: bonds (distance) C4'-P energy: -94.643 bonds (distance) P-C4' energy: -101.618 flat angles C4'-P-C4' energy: -99.202 flat angles P-C4'-P energy: -75.234 tors. eta vs tors. theta energy: -126.879 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: 5 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1587.730112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.730112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.730112 (E_RNA) where: Base-Base interactions energy: -1108.646 where: short stacking energy: -459.412 Base-Backbone interact. energy: -1.199 local terms energy: -477.884909 where: bonds (distance) C4'-P energy: -86.628 bonds (distance) P-C4' energy: -87.944 flat angles C4'-P-C4' energy: -100.056 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -140.056 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: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1496.508126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.508126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.508126 (E_RNA) where: Base-Base interactions energy: -1038.829 where: short stacking energy: -415.854 Base-Backbone interact. energy: 0.801 local terms energy: -458.479627 where: bonds (distance) C4'-P energy: -90.577 bonds (distance) P-C4' energy: -86.261 flat angles C4'-P-C4' energy: -97.195 flat angles P-C4'-P energy: -64.488 tors. eta vs tors. theta energy: -119.959 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: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1439.496248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.496248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.496248 (E_RNA) where: Base-Base interactions energy: -990.661 where: short stacking energy: -406.579 Base-Backbone interact. energy: 0.321 local terms energy: -449.155445 where: bonds (distance) C4'-P energy: -73.118 bonds (distance) P-C4' energy: -95.411 flat angles C4'-P-C4' energy: -85.482 flat angles P-C4'-P energy: -66.342 tors. eta vs tors. theta energy: -128.803 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: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1320.823359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.823359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.823359 (E_RNA) where: Base-Base interactions energy: -897.213 where: short stacking energy: -370.352 Base-Backbone interact. energy: -1.319 local terms energy: -422.291647 where: bonds (distance) C4'-P energy: -70.810 bonds (distance) P-C4' energy: -94.049 flat angles C4'-P-C4' energy: -88.261 flat angles P-C4'-P energy: -55.477 tors. eta vs tors. theta energy: -113.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1204.318847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.318847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.318847 (E_RNA) where: Base-Base interactions energy: -816.226 where: short stacking energy: -351.439 Base-Backbone interact. energy: 0.552 local terms energy: -388.644376 where: bonds (distance) C4'-P energy: -73.425 bonds (distance) P-C4' energy: -86.613 flat angles C4'-P-C4' energy: -78.398 flat angles P-C4'-P energy: -57.858 tors. eta vs tors. theta energy: -92.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1012.030578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.030578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.030578 (E_RNA) where: Base-Base interactions energy: -640.685 where: short stacking energy: -290.300 Base-Backbone interact. energy: 1.447 local terms energy: -372.792095 where: bonds (distance) C4'-P energy: -60.601 bonds (distance) P-C4' energy: -83.431 flat angles C4'-P-C4' energy: -85.069 flat angles P-C4'-P energy: -62.761 tors. eta vs tors. theta energy: -80.931 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: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -649.645728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.645728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.645728 (E_RNA) where: Base-Base interactions energy: -369.168 where: short stacking energy: -187.919 Base-Backbone interact. energy: -1.219 local terms energy: -279.259163 where: bonds (distance) C4'-P energy: -83.191 bonds (distance) P-C4' energy: -75.710 flat angles C4'-P-C4' energy: -67.711 flat angles P-C4'-P energy: -30.870 tors. eta vs tors. theta energy: -21.777 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: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -567.021373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.021373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.021373 (E_RNA) where: Base-Base interactions energy: -289.916 where: short stacking energy: -164.168 Base-Backbone interact. energy: 2.141 local terms energy: -279.246981 where: bonds (distance) C4'-P energy: -72.663 bonds (distance) P-C4' energy: -91.217 flat angles C4'-P-C4' energy: -69.685 flat angles P-C4'-P energy: -30.432 tors. eta vs tors. theta energy: -15.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -518.650610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.650610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.650610 (E_RNA) where: Base-Base interactions energy: -278.555 where: short stacking energy: -140.491 Base-Backbone interact. energy: 4.507 local terms energy: -244.602742 where: bonds (distance) C4'-P energy: -66.882 bonds (distance) P-C4' energy: -66.931 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -41.941 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1600.064726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.064726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.064726 (E_RNA) where: Base-Base interactions energy: -1106.606 where: short stacking energy: -456.092 Base-Backbone interact. energy: -0.312 local terms energy: -493.147100 where: bonds (distance) C4'-P energy: -90.911 bonds (distance) P-C4' energy: -92.636 flat angles C4'-P-C4' energy: -89.674 flat angles P-C4'-P energy: -70.995 tors. eta vs tors. theta energy: -148.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1585.381697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.381697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.381697 (E_RNA) where: Base-Base interactions energy: -1115.279 where: short stacking energy: -453.818 Base-Backbone interact. energy: -2.050 local terms energy: -468.053075 where: bonds (distance) C4'-P energy: -81.435 bonds (distance) P-C4' energy: -83.327 flat angles C4'-P-C4' energy: -98.085 flat angles P-C4'-P energy: -71.112 tors. eta vs tors. theta energy: -134.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1519.295059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.295059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.295059 (E_RNA) where: Base-Base interactions energy: -1050.681 where: short stacking energy: -436.813 Base-Backbone interact. energy: -0.199 local terms energy: -468.415026 where: bonds (distance) C4'-P energy: -86.675 bonds (distance) P-C4' energy: -81.509 flat angles C4'-P-C4' energy: -105.329 flat angles P-C4'-P energy: -64.477 tors. eta vs tors. theta energy: -130.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1425.345906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.345906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.345906 (E_RNA) where: Base-Base interactions energy: -975.131 where: short stacking energy: -411.404 Base-Backbone interact. energy: 3.126 local terms energy: -453.341038 where: bonds (distance) C4'-P energy: -85.552 bonds (distance) P-C4' energy: -77.089 flat angles C4'-P-C4' energy: -100.335 flat angles P-C4'-P energy: -74.523 tors. eta vs tors. theta energy: -115.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1338.835022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.835022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.835022 (E_RNA) where: Base-Base interactions energy: -907.625 where: short stacking energy: -364.662 Base-Backbone interact. energy: -2.924 local terms energy: -428.286051 where: bonds (distance) C4'-P energy: -80.052 bonds (distance) P-C4' energy: -77.202 flat angles C4'-P-C4' energy: -82.632 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -113.768 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: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1196.835450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.835450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.835450 (E_RNA) where: Base-Base interactions energy: -798.824 where: short stacking energy: -350.605 Base-Backbone interact. energy: -0.853 local terms energy: -397.158556 where: bonds (distance) C4'-P energy: -79.179 bonds (distance) P-C4' energy: -75.900 flat angles C4'-P-C4' energy: -90.232 flat angles P-C4'-P energy: -55.151 tors. eta vs tors. theta energy: -96.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1018.114779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.114779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.114779 (E_RNA) where: Base-Base interactions energy: -669.315 where: short stacking energy: -294.558 Base-Backbone interact. energy: -2.511 local terms energy: -346.288454 where: bonds (distance) C4'-P energy: -64.916 bonds (distance) P-C4' energy: -86.515 flat angles C4'-P-C4' energy: -82.024 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -67.549 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: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -745.604825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.604825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.604825 (E_RNA) where: Base-Base interactions energy: -430.115 where: short stacking energy: -205.253 Base-Backbone interact. energy: -1.806 local terms energy: -313.683560 where: bonds (distance) C4'-P energy: -68.356 bonds (distance) P-C4' energy: -91.855 flat angles C4'-P-C4' energy: -78.263 flat angles P-C4'-P energy: -39.400 tors. eta vs tors. theta energy: -35.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -546.577576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.577576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.577576 (E_RNA) where: Base-Base interactions energy: -265.424 where: short stacking energy: -150.533 Base-Backbone interact. energy: -1.213 local terms energy: -279.940511 where: bonds (distance) C4'-P energy: -87.692 bonds (distance) P-C4' energy: -78.868 flat angles C4'-P-C4' energy: -74.169 flat angles P-C4'-P energy: -46.174 tors. eta vs tors. theta energy: 6.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -529.417744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.417744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.417744 (E_RNA) where: Base-Base interactions energy: -292.290 where: short stacking energy: -158.825 Base-Backbone interact. energy: 3.126 local terms energy: -240.253449 where: bonds (distance) C4'-P energy: -70.033 bonds (distance) P-C4' energy: -92.142 flat angles C4'-P-C4' energy: -49.549 flat angles P-C4'-P energy: -32.149 tors. eta vs tors. theta energy: 3.619 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: 5 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1601.905436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.905436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.905436 (E_RNA) where: Base-Base interactions energy: -1119.017 where: short stacking energy: -466.581 Base-Backbone interact. energy: -1.632 local terms energy: -481.256788 where: bonds (distance) C4'-P energy: -85.301 bonds (distance) P-C4' energy: -83.978 flat angles C4'-P-C4' energy: -108.147 flat angles P-C4'-P energy: -67.334 tors. eta vs tors. theta energy: -136.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1573.521279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.521279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.521279 (E_RNA) where: Base-Base interactions energy: -1079.245 where: short stacking energy: -428.799 Base-Backbone interact. energy: -3.060 local terms energy: -491.216612 where: bonds (distance) C4'-P energy: -96.523 bonds (distance) P-C4' energy: -90.823 flat angles C4'-P-C4' energy: -94.144 flat angles P-C4'-P energy: -76.940 tors. eta vs tors. theta energy: -132.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1507.974573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.974573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.974573 (E_RNA) where: Base-Base interactions energy: -1066.743 where: short stacking energy: -419.956 Base-Backbone interact. energy: -1.351 local terms energy: -439.880817 where: bonds (distance) C4'-P energy: -74.527 bonds (distance) P-C4' energy: -84.928 flat angles C4'-P-C4' energy: -99.775 flat angles P-C4'-P energy: -63.030 tors. eta vs tors. theta energy: -117.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1420.697817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.697817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.697817 (E_RNA) where: Base-Base interactions energy: -967.357 where: short stacking energy: -407.618 Base-Backbone interact. energy: -2.841 local terms energy: -450.500317 where: bonds (distance) C4'-P energy: -80.807 bonds (distance) P-C4' energy: -93.650 flat angles C4'-P-C4' energy: -99.817 flat angles P-C4'-P energy: -66.498 tors. eta vs tors. theta energy: -109.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1345.882249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.882249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.882249 (E_RNA) where: Base-Base interactions energy: -916.506 where: short stacking energy: -384.344 Base-Backbone interact. energy: -0.964 local terms energy: -428.412740 where: bonds (distance) C4'-P energy: -70.386 bonds (distance) P-C4' energy: -85.100 flat angles C4'-P-C4' energy: -97.671 flat angles P-C4'-P energy: -58.613 tors. eta vs tors. theta energy: -116.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1202.781016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.781016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.781016 (E_RNA) where: Base-Base interactions energy: -827.368 where: short stacking energy: -356.628 Base-Backbone interact. energy: -0.758 local terms energy: -374.654730 where: bonds (distance) C4'-P energy: -72.191 bonds (distance) P-C4' energy: -74.598 flat angles C4'-P-C4' energy: -91.917 flat angles P-C4'-P energy: -44.566 tors. eta vs tors. theta energy: -91.383 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: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1032.716501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.716501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.716501 (E_RNA) where: Base-Base interactions energy: -669.189 where: short stacking energy: -299.939 Base-Backbone interact. energy: 1.921 local terms energy: -365.448090 where: bonds (distance) C4'-P energy: -77.801 bonds (distance) P-C4' energy: -74.761 flat angles C4'-P-C4' energy: -86.209 flat angles P-C4'-P energy: -52.520 tors. eta vs tors. theta energy: -74.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -708.121070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.121070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.121070 (E_RNA) where: Base-Base interactions energy: -401.479 where: short stacking energy: -204.905 Base-Backbone interact. energy: -1.713 local terms energy: -304.929281 where: bonds (distance) C4'-P energy: -73.895 bonds (distance) P-C4' energy: -98.124 flat angles C4'-P-C4' energy: -66.806 flat angles P-C4'-P energy: -44.603 tors. eta vs tors. theta energy: -21.502 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: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -581.266928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.266928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.266928 (E_RNA) where: Base-Base interactions energy: -291.651 where: short stacking energy: -162.860 Base-Backbone interact. energy: -0.650 local terms energy: -288.965843 where: bonds (distance) C4'-P energy: -75.889 bonds (distance) P-C4' energy: -82.740 flat angles C4'-P-C4' energy: -62.595 flat angles P-C4'-P energy: -52.705 tors. eta vs tors. theta energy: -15.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -533.165527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.165527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.165527 (E_RNA) where: Base-Base interactions energy: -258.957 where: short stacking energy: -145.568 Base-Backbone interact. energy: -0.182 local terms energy: -274.026533 where: bonds (distance) C4'-P energy: -78.651 bonds (distance) P-C4' energy: -65.681 flat angles C4'-P-C4' energy: -76.034 flat angles P-C4'-P energy: -46.293 tors. eta vs tors. theta energy: -7.367 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: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1613.182284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.182284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.182284 (E_RNA) where: Base-Base interactions energy: -1131.029 where: short stacking energy: -461.795 Base-Backbone interact. energy: -2.196 local terms energy: -479.956916 where: bonds (distance) C4'-P energy: -80.025 bonds (distance) P-C4' energy: -85.931 flat angles C4'-P-C4' energy: -106.743 flat angles P-C4'-P energy: -69.488 tors. eta vs tors. theta energy: -137.770 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: 2, replica: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1571.157799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.157799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.157799 (E_RNA) where: Base-Base interactions energy: -1063.177 where: short stacking energy: -450.640 Base-Backbone interact. energy: -1.286 local terms energy: -506.695010 where: bonds (distance) C4'-P energy: -91.313 bonds (distance) P-C4' energy: -97.183 flat angles C4'-P-C4' energy: -99.851 flat angles P-C4'-P energy: -75.071 tors. eta vs tors. theta energy: -143.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1497.094906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.094906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.094906 (E_RNA) where: Base-Base interactions energy: -1049.531 where: short stacking energy: -414.246 Base-Backbone interact. energy: 2.445 local terms energy: -450.009134 where: bonds (distance) C4'-P energy: -81.841 bonds (distance) P-C4' energy: -83.553 flat angles C4'-P-C4' energy: -88.910 flat angles P-C4'-P energy: -70.787 tors. eta vs tors. theta energy: -124.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1430.896742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.896742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.896742 (E_RNA) where: Base-Base interactions energy: -986.508 where: short stacking energy: -393.123 Base-Backbone interact. energy: -3.552 local terms energy: -440.836373 where: bonds (distance) C4'-P energy: -82.912 bonds (distance) P-C4' energy: -67.705 flat angles C4'-P-C4' energy: -101.483 flat angles P-C4'-P energy: -70.065 tors. eta vs tors. theta energy: -118.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1293.038690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.038690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.038690 (E_RNA) where: Base-Base interactions energy: -871.422 where: short stacking energy: -390.942 Base-Backbone interact. energy: -1.169 local terms energy: -420.448018 where: bonds (distance) C4'-P energy: -82.566 bonds (distance) P-C4' energy: -77.274 flat angles C4'-P-C4' energy: -85.296 flat angles P-C4'-P energy: -64.174 tors. eta vs tors. theta energy: -111.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1178.353300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.353300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.353300 (E_RNA) where: Base-Base interactions energy: -801.313 where: short stacking energy: -356.600 Base-Backbone interact. energy: 0.504 local terms energy: -377.544030 where: bonds (distance) C4'-P energy: -80.830 bonds (distance) P-C4' energy: -72.820 flat angles C4'-P-C4' energy: -91.514 flat angles P-C4'-P energy: -36.388 tors. eta vs tors. theta energy: -95.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1028.911791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.911791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.911791 (E_RNA) where: Base-Base interactions energy: -672.144 where: short stacking energy: -323.318 Base-Backbone interact. energy: -2.672 local terms energy: -354.095658 where: bonds (distance) C4'-P energy: -77.534 bonds (distance) P-C4' energy: -63.722 flat angles C4'-P-C4' energy: -90.598 flat angles P-C4'-P energy: -36.096 tors. eta vs tors. theta energy: -86.146 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: 7 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -717.167369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.167369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.167369 (E_RNA) where: Base-Base interactions energy: -409.345 where: short stacking energy: -212.076 Base-Backbone interact. energy: -0.327 local terms energy: -307.495933 where: bonds (distance) C4'-P energy: -63.225 bonds (distance) P-C4' energy: -103.538 flat angles C4'-P-C4' energy: -60.789 flat angles P-C4'-P energy: -49.812 tors. eta vs tors. theta energy: -30.132 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: 9, replica: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -525.119508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.119508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.119508 (E_RNA) where: Base-Base interactions energy: -266.199 where: short stacking energy: -161.545 Base-Backbone interact. energy: -2.022 local terms energy: -256.898233 where: bonds (distance) C4'-P energy: -63.150 bonds (distance) P-C4' energy: -81.519 flat angles C4'-P-C4' energy: -67.655 flat angles P-C4'-P energy: -43.578 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -513.076440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.076440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.076440 (E_RNA) where: Base-Base interactions energy: -265.657 where: short stacking energy: -150.957 Base-Backbone interact. energy: 5.538 local terms energy: -252.957909 where: bonds (distance) C4'-P energy: -74.592 bonds (distance) P-C4' energy: -62.779 flat angles C4'-P-C4' energy: -66.161 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: -5.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1632.310331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.310331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.310331 (E_RNA) where: Base-Base interactions energy: -1143.252 where: short stacking energy: -480.327 Base-Backbone interact. energy: -0.622 local terms energy: -488.437103 where: bonds (distance) C4'-P energy: -85.481 bonds (distance) P-C4' energy: -100.832 flat angles C4'-P-C4' energy: -101.729 flat angles P-C4'-P energy: -64.862 tors. eta vs tors. theta energy: -135.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1567.793211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.793211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.793211 (E_RNA) where: Base-Base interactions energy: -1073.442 where: short stacking energy: -448.738 Base-Backbone interact. energy: -1.468 local terms energy: -492.883903 where: bonds (distance) C4'-P energy: -88.550 bonds (distance) P-C4' energy: -96.415 flat angles C4'-P-C4' energy: -99.494 flat angles P-C4'-P energy: -70.195 tors. eta vs tors. theta energy: -138.229 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: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1459.151152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.151152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.151152 (E_RNA) where: Base-Base interactions energy: -990.352 where: short stacking energy: -400.225 Base-Backbone interact. energy: -1.514 local terms energy: -467.285239 where: bonds (distance) C4'-P energy: -99.990 bonds (distance) P-C4' energy: -86.573 flat angles C4'-P-C4' energy: -98.703 flat angles P-C4'-P energy: -72.099 tors. eta vs tors. theta energy: -109.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1421.753857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.753857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.753857 (E_RNA) where: Base-Base interactions energy: -990.615 where: short stacking energy: -402.986 Base-Backbone interact. energy: -0.096 local terms energy: -431.043205 where: bonds (distance) C4'-P energy: -81.196 bonds (distance) P-C4' energy: -78.772 flat angles C4'-P-C4' energy: -103.358 flat angles P-C4'-P energy: -52.993 tors. eta vs tors. theta energy: -114.725 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: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1318.475980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.475980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.475980 (E_RNA) where: Base-Base interactions energy: -881.960 where: short stacking energy: -383.980 Base-Backbone interact. energy: -0.834 local terms energy: -435.682194 where: bonds (distance) C4'-P energy: -59.318 bonds (distance) P-C4' energy: -90.945 flat angles C4'-P-C4' energy: -88.981 flat angles P-C4'-P energy: -75.069 tors. eta vs tors. theta energy: -121.369 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: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1158.706857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.706857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.706857 (E_RNA) where: Base-Base interactions energy: -738.559 where: short stacking energy: -336.043 Base-Backbone interact. energy: -0.700 local terms energy: -419.447836 where: bonds (distance) C4'-P energy: -74.890 bonds (distance) P-C4' energy: -87.217 flat angles C4'-P-C4' energy: -94.548 flat angles P-C4'-P energy: -72.096 tors. eta vs tors. theta energy: -90.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -956.286898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.286898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.286898 (E_RNA) where: Base-Base interactions energy: -589.450 where: short stacking energy: -282.135 Base-Backbone interact. energy: -1.453 local terms energy: -365.384307 where: bonds (distance) C4'-P energy: -76.608 bonds (distance) P-C4' energy: -75.947 flat angles C4'-P-C4' energy: -86.629 flat angles P-C4'-P energy: -55.641 tors. eta vs tors. theta energy: -70.559 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: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -685.984366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.984366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.984366 (E_RNA) where: Base-Base interactions energy: -408.444 where: short stacking energy: -206.405 Base-Backbone interact. energy: 2.199 local terms energy: -279.739906 where: bonds (distance) C4'-P energy: -67.192 bonds (distance) P-C4' energy: -81.170 flat angles C4'-P-C4' energy: -77.777 flat angles P-C4'-P energy: -36.051 tors. eta vs tors. theta energy: -17.550 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: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -550.654239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.654239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.654239 (E_RNA) where: Base-Base interactions energy: -283.868 where: short stacking energy: -166.766 Base-Backbone interact. energy: 1.233 local terms energy: -268.019445 where: bonds (distance) C4'-P energy: -69.259 bonds (distance) P-C4' energy: -76.966 flat angles C4'-P-C4' energy: -72.699 flat angles P-C4'-P energy: -37.861 tors. eta vs tors. theta energy: -11.235 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: 363 Temperature: 1.350000 Total energy: -506.241923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.241923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.241923 (E_RNA) where: Base-Base interactions energy: -245.873 where: short stacking energy: -152.196 Base-Backbone interact. energy: -0.589 local terms energy: -259.779787 where: bonds (distance) C4'-P energy: -73.744 bonds (distance) P-C4' energy: -69.867 flat angles C4'-P-C4' energy: -71.602 flat angles P-C4'-P energy: -35.830 tors. eta vs tors. theta energy: -8.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1610.019244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.019244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.019244 (E_RNA) where: Base-Base interactions energy: -1106.177 where: short stacking energy: -472.876 Base-Backbone interact. energy: -1.420 local terms energy: -502.422260 where: bonds (distance) C4'-P energy: -86.875 bonds (distance) P-C4' energy: -101.114 flat angles C4'-P-C4' energy: -106.296 flat angles P-C4'-P energy: -62.395 tors. eta vs tors. theta energy: -145.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1570.325059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.325059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.325059 (E_RNA) where: Base-Base interactions energy: -1096.738 where: short stacking energy: -441.587 Base-Backbone interact. energy: -3.444 local terms energy: -470.142491 where: bonds (distance) C4'-P energy: -88.202 bonds (distance) P-C4' energy: -88.299 flat angles C4'-P-C4' energy: -93.711 flat angles P-C4'-P energy: -66.720 tors. eta vs tors. theta energy: -133.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1481.781426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.781426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.781426 (E_RNA) where: Base-Base interactions energy: -1028.711 where: short stacking energy: -414.409 Base-Backbone interact. energy: 5.608 local terms energy: -458.678260 where: bonds (distance) C4'-P energy: -94.362 bonds (distance) P-C4' energy: -93.400 flat angles C4'-P-C4' energy: -102.217 flat angles P-C4'-P energy: -51.767 tors. eta vs tors. theta energy: -116.931 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: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1425.898350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.898350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.898350 (E_RNA) where: Base-Base interactions energy: -969.328 where: short stacking energy: -398.776 Base-Backbone interact. energy: 0.283 local terms energy: -456.853508 where: bonds (distance) C4'-P energy: -92.213 bonds (distance) P-C4' energy: -70.918 flat angles C4'-P-C4' energy: -94.367 flat angles P-C4'-P energy: -81.747 tors. eta vs tors. theta energy: -117.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1295.035313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.035313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.035313 (E_RNA) where: Base-Base interactions energy: -877.639 where: short stacking energy: -371.462 Base-Backbone interact. energy: -1.185 local terms energy: -416.211211 where: bonds (distance) C4'-P energy: -84.893 bonds (distance) P-C4' energy: -78.637 flat angles C4'-P-C4' energy: -93.016 flat angles P-C4'-P energy: -50.285 tors. eta vs tors. theta energy: -109.380 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: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1178.475400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.475400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.475400 (E_RNA) where: Base-Base interactions energy: -764.328 where: short stacking energy: -339.967 Base-Backbone interact. energy: -0.787 local terms energy: -413.360062 where: bonds (distance) C4'-P energy: -100.545 bonds (distance) P-C4' energy: -92.030 flat angles C4'-P-C4' energy: -81.519 flat angles P-C4'-P energy: -46.593 tors. eta vs tors. theta energy: -92.673 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: 1 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -911.478666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.478666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.478666 (E_RNA) where: Base-Base interactions energy: -589.290 where: short stacking energy: -278.049 Base-Backbone interact. energy: 0.542 local terms energy: -322.730500 where: bonds (distance) C4'-P energy: -75.760 bonds (distance) P-C4' energy: -80.819 flat angles C4'-P-C4' energy: -81.351 flat angles P-C4'-P energy: -33.915 tors. eta vs tors. theta energy: -50.886 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: 8, replica: 7 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -707.793776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.793776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.793776 (E_RNA) where: Base-Base interactions energy: -404.677 where: short stacking energy: -208.584 Base-Backbone interact. energy: -1.345 local terms energy: -301.771078 where: bonds (distance) C4'-P energy: -68.895 bonds (distance) P-C4' energy: -79.911 flat angles C4'-P-C4' energy: -89.399 flat angles P-C4'-P energy: -31.409 tors. eta vs tors. theta energy: -32.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -520.877843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.877843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.877843 (E_RNA) where: Base-Base interactions energy: -247.298 where: short stacking energy: -120.631 Base-Backbone interact. energy: -2.061 local terms energy: -271.519355 where: bonds (distance) C4'-P energy: -72.968 bonds (distance) P-C4' energy: -91.033 flat angles C4'-P-C4' energy: -68.958 flat angles P-C4'-P energy: -44.208 tors. eta vs tors. theta energy: 5.647 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: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -537.376950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.376950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.376950 (E_RNA) where: Base-Base interactions energy: -259.430 where: short stacking energy: -145.045 Base-Backbone interact. energy: -0.339 local terms energy: -277.608143 where: bonds (distance) C4'-P energy: -79.006 bonds (distance) P-C4' energy: -78.226 flat angles C4'-P-C4' energy: -77.534 flat angles P-C4'-P energy: -36.468 tors. eta vs tors. theta energy: -6.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1579.903713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.903713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.903713 (E_RNA) where: Base-Base interactions energy: -1088.022 where: short stacking energy: -467.845 Base-Backbone interact. energy: -0.216 local terms energy: -491.665985 where: bonds (distance) C4'-P energy: -71.915 bonds (distance) P-C4' energy: -95.595 flat angles C4'-P-C4' energy: -106.245 flat angles P-C4'-P energy: -70.564 tors. eta vs tors. theta energy: -147.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1578.476081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.476081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.476081 (E_RNA) where: Base-Base interactions energy: -1088.389 where: short stacking energy: -427.792 Base-Backbone interact. energy: -2.883 local terms energy: -487.203886 where: bonds (distance) C4'-P energy: -89.536 bonds (distance) P-C4' energy: -91.551 flat angles C4'-P-C4' energy: -98.098 flat angles P-C4'-P energy: -72.455 tors. eta vs tors. theta energy: -135.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1473.565710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.565710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.565710 (E_RNA) where: Base-Base interactions energy: -1022.553 where: short stacking energy: -416.860 Base-Backbone interact. energy: -0.621 local terms energy: -450.391350 where: bonds (distance) C4'-P energy: -88.623 bonds (distance) P-C4' energy: -73.778 flat angles C4'-P-C4' energy: -103.160 flat angles P-C4'-P energy: -66.972 tors. eta vs tors. theta energy: -117.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1443.407621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.407621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.407621 (E_RNA) where: Base-Base interactions energy: -983.028 where: short stacking energy: -410.338 Base-Backbone interact. energy: -2.577 local terms energy: -457.802097 where: bonds (distance) C4'-P energy: -85.413 bonds (distance) P-C4' energy: -91.431 flat angles C4'-P-C4' energy: -90.586 flat angles P-C4'-P energy: -64.555 tors. eta vs tors. theta energy: -125.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1273.171242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.171242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.171242 (E_RNA) where: Base-Base interactions energy: -835.797 where: short stacking energy: -345.958 Base-Backbone interact. energy: -0.358 local terms energy: -437.015669 where: bonds (distance) C4'-P energy: -78.204 bonds (distance) P-C4' energy: -97.108 flat angles C4'-P-C4' energy: -95.228 flat angles P-C4'-P energy: -66.695 tors. eta vs tors. theta energy: -99.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1184.888951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.888951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.888951 (E_RNA) where: Base-Base interactions energy: -794.981 where: short stacking energy: -364.034 Base-Backbone interact. energy: -0.289 local terms energy: -389.619485 where: bonds (distance) C4'-P energy: -76.627 bonds (distance) P-C4' energy: -86.418 flat angles C4'-P-C4' energy: -80.444 flat angles P-C4'-P energy: -56.612 tors. eta vs tors. theta energy: -89.518 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: 1 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -955.509705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.509705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.509705 (E_RNA) where: Base-Base interactions energy: -608.106 where: short stacking energy: -271.330 Base-Backbone interact. energy: 1.709 local terms energy: -349.112623 where: bonds (distance) C4'-P energy: -74.257 bonds (distance) P-C4' energy: -84.856 flat angles C4'-P-C4' energy: -86.107 flat angles P-C4'-P energy: -46.904 tors. eta vs tors. theta energy: -56.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -697.441033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.441033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.441033 (E_RNA) where: Base-Base interactions energy: -400.655 where: short stacking energy: -186.167 Base-Backbone interact. energy: 7.860 local terms energy: -304.646267 where: bonds (distance) C4'-P energy: -78.410 bonds (distance) P-C4' energy: -87.176 flat angles C4'-P-C4' energy: -70.431 flat angles P-C4'-P energy: -44.244 tors. eta vs tors. theta energy: -24.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -548.315828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.315828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.315828 (E_RNA) where: Base-Base interactions energy: -275.604 where: short stacking energy: -156.314 Base-Backbone interact. energy: -2.335 local terms energy: -270.377387 where: bonds (distance) C4'-P energy: -81.774 bonds (distance) P-C4' energy: -83.293 flat angles C4'-P-C4' energy: -58.870 flat angles P-C4'-P energy: -45.762 tors. eta vs tors. theta energy: -0.678 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: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -511.457197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.457197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.457197 (E_RNA) where: Base-Base interactions energy: -254.711 where: short stacking energy: -146.247 Base-Backbone interact. energy: -2.012 local terms energy: -254.734108 where: bonds (distance) C4'-P energy: -89.061 bonds (distance) P-C4' energy: -58.200 flat angles C4'-P-C4' energy: -61.110 flat angles P-C4'-P energy: -40.607 tors. eta vs tors. theta energy: -5.756 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: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1619.332620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.332620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.332620 (E_RNA) where: Base-Base interactions energy: -1134.603 where: short stacking energy: -448.550 Base-Backbone interact. energy: -2.284 local terms energy: -482.445846 where: bonds (distance) C4'-P energy: -79.859 bonds (distance) P-C4' energy: -94.089 flat angles C4'-P-C4' energy: -98.805 flat angles P-C4'-P energy: -75.550 tors. eta vs tors. theta energy: -134.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1588.643406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.643406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.643406 (E_RNA) where: Base-Base interactions energy: -1107.652 where: short stacking energy: -461.832 Base-Backbone interact. energy: -1.634 local terms energy: -479.356888 where: bonds (distance) C4'-P energy: -79.379 bonds (distance) P-C4' energy: -77.847 flat angles C4'-P-C4' energy: -104.752 flat angles P-C4'-P energy: -70.850 tors. eta vs tors. theta energy: -146.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1507.788035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.788035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.788035 (E_RNA) where: Base-Base interactions energy: -1046.706 where: short stacking energy: -432.546 Base-Backbone interact. energy: -0.289 local terms energy: -460.792501 where: bonds (distance) C4'-P energy: -83.653 bonds (distance) P-C4' energy: -91.852 flat angles C4'-P-C4' energy: -114.289 flat angles P-C4'-P energy: -57.962 tors. eta vs tors. theta energy: -113.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1452.191639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.191639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.191639 (E_RNA) where: Base-Base interactions energy: -994.079 where: short stacking energy: -434.254 Base-Backbone interact. energy: -1.973 local terms energy: -456.138824 where: bonds (distance) C4'-P energy: -87.012 bonds (distance) P-C4' energy: -88.162 flat angles C4'-P-C4' energy: -90.783 flat angles P-C4'-P energy: -59.661 tors. eta vs tors. theta energy: -130.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1276.191056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.191056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.191056 (E_RNA) where: Base-Base interactions energy: -847.566 where: short stacking energy: -357.206 Base-Backbone interact. energy: -1.185 local terms energy: -427.440379 where: bonds (distance) C4'-P energy: -81.861 bonds (distance) P-C4' energy: -84.767 flat angles C4'-P-C4' energy: -93.066 flat angles P-C4'-P energy: -58.592 tors. eta vs tors. theta energy: -109.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1138.556673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.556673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.556673 (E_RNA) where: Base-Base interactions energy: -752.310 where: short stacking energy: -324.077 Base-Backbone interact. energy: 1.733 local terms energy: -387.979748 where: bonds (distance) C4'-P energy: -91.385 bonds (distance) P-C4' energy: -85.817 flat angles C4'-P-C4' energy: -84.389 flat angles P-C4'-P energy: -47.448 tors. eta vs tors. theta energy: -78.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -946.669709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.669709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.669709 (E_RNA) where: Base-Base interactions energy: -595.433 where: short stacking energy: -266.856 Base-Backbone interact. energy: -0.871 local terms energy: -350.365020 where: bonds (distance) C4'-P energy: -74.313 bonds (distance) P-C4' energy: -82.290 flat angles C4'-P-C4' energy: -82.500 flat angles P-C4'-P energy: -55.951 tors. eta vs tors. theta energy: -55.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -688.301187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.301187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.301187 (E_RNA) where: Base-Base interactions energy: -400.464 where: short stacking energy: -200.042 Base-Backbone interact. energy: -0.957 local terms energy: -286.879962 where: bonds (distance) C4'-P energy: -65.130 bonds (distance) P-C4' energy: -75.359 flat angles C4'-P-C4' energy: -80.432 flat angles P-C4'-P energy: -36.960 tors. eta vs tors. theta energy: -29.000 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: 366 Temperature: 1.300000 Total energy: -551.251560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.251560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.251560 (E_RNA) where: Base-Base interactions energy: -298.476 where: short stacking energy: -158.758 Base-Backbone interact. energy: -1.063 local terms energy: -251.712166 where: bonds (distance) C4'-P energy: -70.411 bonds (distance) P-C4' energy: -74.944 flat angles C4'-P-C4' energy: -71.291 flat angles P-C4'-P energy: -35.999 tors. eta vs tors. theta energy: 0.933 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: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -538.917820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.917820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.917820 (E_RNA) where: Base-Base interactions energy: -282.096 where: short stacking energy: -142.912 Base-Backbone interact. energy: 2.158 local terms energy: -258.979872 where: bonds (distance) C4'-P energy: -79.320 bonds (distance) P-C4' energy: -63.854 flat angles C4'-P-C4' energy: -64.458 flat angles P-C4'-P energy: -48.426 tors. eta vs tors. theta energy: -2.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1624.048070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.048070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.048070 (E_RNA) where: Base-Base interactions energy: -1127.418 where: short stacking energy: -434.323 Base-Backbone interact. energy: -2.606 local terms energy: -494.023720 where: bonds (distance) C4'-P energy: -92.008 bonds (distance) P-C4' energy: -104.883 flat angles C4'-P-C4' energy: -96.917 flat angles P-C4'-P energy: -65.817 tors. eta vs tors. theta energy: -134.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1593.485418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.485418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.485418 (E_RNA) where: Base-Base interactions energy: -1087.998 where: short stacking energy: -455.228 Base-Backbone interact. energy: 1.377 local terms energy: -506.865016 where: bonds (distance) C4'-P energy: -95.582 bonds (distance) P-C4' energy: -89.441 flat angles C4'-P-C4' energy: -97.780 flat angles P-C4'-P energy: -67.726 tors. eta vs tors. theta energy: -156.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1482.578558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.578558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.578558 (E_RNA) where: Base-Base interactions energy: -1038.893 where: short stacking energy: -420.743 Base-Backbone interact. energy: 1.011 local terms energy: -444.695739 where: bonds (distance) C4'-P energy: -73.522 bonds (distance) P-C4' energy: -81.501 flat angles C4'-P-C4' energy: -104.816 flat angles P-C4'-P energy: -57.025 tors. eta vs tors. theta energy: -127.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1441.235629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.235629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.235629 (E_RNA) where: Base-Base interactions energy: -973.106 where: short stacking energy: -412.303 Base-Backbone interact. energy: -5.051 local terms energy: -463.077962 where: bonds (distance) C4'-P energy: -91.527 bonds (distance) P-C4' energy: -80.118 flat angles C4'-P-C4' energy: -110.895 flat angles P-C4'-P energy: -57.541 tors. eta vs tors. theta energy: -122.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1269.804913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.804913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.804913 (E_RNA) where: Base-Base interactions energy: -840.613 where: short stacking energy: -361.501 Base-Backbone interact. energy: -1.240 local terms energy: -427.952326 where: bonds (distance) C4'-P energy: -90.356 bonds (distance) P-C4' energy: -81.318 flat angles C4'-P-C4' energy: -97.579 flat angles P-C4'-P energy: -60.341 tors. eta vs tors. theta energy: -98.358 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: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1151.142587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.142587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.142587 (E_RNA) where: Base-Base interactions energy: -757.852 where: short stacking energy: -346.343 Base-Backbone interact. energy: -0.825 local terms energy: -392.465450 where: bonds (distance) C4'-P energy: -79.937 bonds (distance) P-C4' energy: -73.287 flat angles C4'-P-C4' energy: -80.583 flat angles P-C4'-P energy: -61.558 tors. eta vs tors. theta energy: -97.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1017.206044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.206044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.206044 (E_RNA) where: Base-Base interactions energy: -665.214 where: short stacking energy: -292.109 Base-Backbone interact. energy: -0.224 local terms energy: -351.768476 where: bonds (distance) C4'-P energy: -90.764 bonds (distance) P-C4' energy: -74.810 flat angles C4'-P-C4' energy: -61.136 flat angles P-C4'-P energy: -60.259 tors. eta vs tors. theta energy: -64.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -745.717093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.717093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.717093 (E_RNA) where: Base-Base interactions energy: -431.170 where: short stacking energy: -206.624 Base-Backbone interact. energy: -0.661 local terms energy: -313.886241 where: bonds (distance) C4'-P energy: -88.602 bonds (distance) P-C4' energy: -77.289 flat angles C4'-P-C4' energy: -82.423 flat angles P-C4'-P energy: -39.810 tors. eta vs tors. theta energy: -25.762 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: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -547.811663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.811663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.811663 (E_RNA) where: Base-Base interactions energy: -266.914 where: short stacking energy: -137.841 Base-Backbone interact. energy: -1.152 local terms energy: -279.745672 where: bonds (distance) C4'-P energy: -70.611 bonds (distance) P-C4' energy: -76.945 flat angles C4'-P-C4' energy: -82.466 flat angles P-C4'-P energy: -41.770 tors. eta vs tors. theta energy: -7.954 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: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -520.632917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.632917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.632917 (E_RNA) where: Base-Base interactions energy: -269.442 where: short stacking energy: -134.773 Base-Backbone interact. energy: 1.485 local terms energy: -252.676054 where: bonds (distance) C4'-P energy: -65.361 bonds (distance) P-C4' energy: -69.157 flat angles C4'-P-C4' energy: -65.320 flat angles P-C4'-P energy: -50.081 tors. eta vs tors. theta energy: -2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1602.935538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.935538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.935538 (E_RNA) where: Base-Base interactions energy: -1108.309 where: short stacking energy: -442.103 Base-Backbone interact. energy: -0.319 local terms energy: -494.307891 where: bonds (distance) C4'-P energy: -100.750 bonds (distance) P-C4' energy: -79.766 flat angles C4'-P-C4' energy: -105.383 flat angles P-C4'-P energy: -75.326 tors. eta vs tors. theta energy: -133.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1572.156439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.156439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.156439 (E_RNA) where: Base-Base interactions energy: -1082.269 where: short stacking energy: -457.720 Base-Backbone interact. energy: -3.080 local terms energy: -486.807316 where: bonds (distance) C4'-P energy: -90.681 bonds (distance) P-C4' energy: -89.875 flat angles C4'-P-C4' energy: -98.527 flat angles P-C4'-P energy: -63.405 tors. eta vs tors. theta energy: -144.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1485.183947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.183947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.183947 (E_RNA) where: Base-Base interactions energy: -1029.028 where: short stacking energy: -417.574 Base-Backbone interact. energy: 1.793 local terms energy: -457.949590 where: bonds (distance) C4'-P energy: -80.788 bonds (distance) P-C4' energy: -80.343 flat angles C4'-P-C4' energy: -100.109 flat angles P-C4'-P energy: -64.488 tors. eta vs tors. theta energy: -132.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1430.577360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.577360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.577360 (E_RNA) where: Base-Base interactions energy: -996.671 where: short stacking energy: -400.881 Base-Backbone interact. energy: 0.816 local terms energy: -434.721986 where: bonds (distance) C4'-P energy: -74.473 bonds (distance) P-C4' energy: -81.194 flat angles C4'-P-C4' energy: -99.858 flat angles P-C4'-P energy: -55.283 tors. eta vs tors. theta energy: -123.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1228.266628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.266628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.266628 (E_RNA) where: Base-Base interactions energy: -821.437 where: short stacking energy: -343.097 Base-Backbone interact. energy: 0.267 local terms energy: -407.096643 where: bonds (distance) C4'-P energy: -91.728 bonds (distance) P-C4' energy: -82.671 flat angles C4'-P-C4' energy: -89.685 flat angles P-C4'-P energy: -48.269 tors. eta vs tors. theta energy: -94.744 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: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1166.553140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.553140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.553140 (E_RNA) where: Base-Base interactions energy: -777.321 where: short stacking energy: -342.882 Base-Backbone interact. energy: -1.022 local terms energy: -388.210238 where: bonds (distance) C4'-P energy: -79.132 bonds (distance) P-C4' energy: -76.150 flat angles C4'-P-C4' energy: -84.911 flat angles P-C4'-P energy: -57.036 tors. eta vs tors. theta energy: -90.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1138.891964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.891964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.891964 (E_RNA) where: Base-Base interactions energy: -753.658 where: short stacking energy: -325.824 Base-Backbone interact. energy: -0.750 local terms energy: -384.483466 where: bonds (distance) C4'-P energy: -86.341 bonds (distance) P-C4' energy: -76.017 flat angles C4'-P-C4' energy: -81.854 flat angles P-C4'-P energy: -60.099 tors. eta vs tors. theta energy: -80.172 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: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -760.450833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.450833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.450833 (E_RNA) where: Base-Base interactions energy: -480.300 where: short stacking energy: -209.996 Base-Backbone interact. energy: 0.213 local terms energy: -280.363237 where: bonds (distance) C4'-P energy: -64.080 bonds (distance) P-C4' energy: -67.865 flat angles C4'-P-C4' energy: -75.809 flat angles P-C4'-P energy: -46.605 tors. eta vs tors. theta energy: -26.005 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: 10 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -579.102259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.102259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.102259 (E_RNA) where: Base-Base interactions energy: -302.688 where: short stacking energy: -178.210 Base-Backbone interact. energy: -0.613 local terms energy: -275.801259 where: bonds (distance) C4'-P energy: -87.923 bonds (distance) P-C4' energy: -59.819 flat angles C4'-P-C4' energy: -68.612 flat angles P-C4'-P energy: -48.712 tors. eta vs tors. theta energy: -10.736 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: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -514.369471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.369471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.369471 (E_RNA) where: Base-Base interactions energy: -254.895 where: short stacking energy: -152.494 Base-Backbone interact. energy: -0.661 local terms energy: -258.813945 where: bonds (distance) C4'-P energy: -64.802 bonds (distance) P-C4' energy: -81.619 flat angles C4'-P-C4' energy: -73.176 flat angles P-C4'-P energy: -44.407 tors. eta vs tors. theta energy: 5.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1614.864425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.864425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.864425 (E_RNA) where: Base-Base interactions energy: -1139.645 where: short stacking energy: -464.968 Base-Backbone interact. energy: 1.556 local terms energy: -476.775245 where: bonds (distance) C4'-P energy: -80.675 bonds (distance) P-C4' energy: -86.750 flat angles C4'-P-C4' energy: -100.413 flat angles P-C4'-P energy: -71.799 tors. eta vs tors. theta energy: -137.139 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: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1567.213703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.213703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.213703 (E_RNA) where: Base-Base interactions energy: -1066.261 where: short stacking energy: -459.187 Base-Backbone interact. energy: -0.625 local terms energy: -500.327691 where: bonds (distance) C4'-P energy: -89.935 bonds (distance) P-C4' energy: -89.110 flat angles C4'-P-C4' energy: -103.691 flat angles P-C4'-P energy: -68.079 tors. eta vs tors. theta energy: -149.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1493.056399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.056399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.056399 (E_RNA) where: Base-Base interactions energy: -1036.770 where: short stacking energy: -417.426 Base-Backbone interact. energy: -3.391 local terms energy: -452.895618 where: bonds (distance) C4'-P energy: -80.473 bonds (distance) P-C4' energy: -75.480 flat angles C4'-P-C4' energy: -95.774 flat angles P-C4'-P energy: -77.554 tors. eta vs tors. theta energy: -123.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1410.624064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.624064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.624064 (E_RNA) where: Base-Base interactions energy: -975.361 where: short stacking energy: -397.828 Base-Backbone interact. energy: -4.500 local terms energy: -430.763003 where: bonds (distance) C4'-P energy: -78.589 bonds (distance) P-C4' energy: -74.423 flat angles C4'-P-C4' energy: -99.372 flat angles P-C4'-P energy: -62.142 tors. eta vs tors. theta energy: -116.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1271.876721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.876721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.876721 (E_RNA) where: Base-Base interactions energy: -847.026 where: short stacking energy: -385.941 Base-Backbone interact. energy: -0.883 local terms energy: -423.967870 where: bonds (distance) C4'-P energy: -88.843 bonds (distance) P-C4' energy: -61.907 flat angles C4'-P-C4' energy: -95.127 flat angles P-C4'-P energy: -63.216 tors. eta vs tors. theta energy: -114.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1156.187074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.187074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.187074 (E_RNA) where: Base-Base interactions energy: -734.062 where: short stacking energy: -318.935 Base-Backbone interact. energy: -0.535 local terms energy: -421.589990 where: bonds (distance) C4'-P energy: -75.837 bonds (distance) P-C4' energy: -94.985 flat angles C4'-P-C4' energy: -90.300 flat angles P-C4'-P energy: -60.993 tors. eta vs tors. theta energy: -99.475 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: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1154.360034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.360034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.360034 (E_RNA) where: Base-Base interactions energy: -777.672 where: short stacking energy: -346.518 Base-Backbone interact. energy: -0.001 local terms energy: -376.686584 where: bonds (distance) C4'-P energy: -66.048 bonds (distance) P-C4' energy: -72.522 flat angles C4'-P-C4' energy: -78.676 flat angles P-C4'-P energy: -58.549 tors. eta vs tors. theta energy: -100.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -775.730319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.730319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.730319 (E_RNA) where: Base-Base interactions energy: -484.312 where: short stacking energy: -240.397 Base-Backbone interact. energy: 3.728 local terms energy: -295.146757 where: bonds (distance) C4'-P energy: -73.861 bonds (distance) P-C4' energy: -73.078 flat angles C4'-P-C4' energy: -68.025 flat angles P-C4'-P energy: -47.605 tors. eta vs tors. theta energy: -32.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -565.670111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.670111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.670111 (E_RNA) where: Base-Base interactions energy: -292.846 where: short stacking energy: -171.429 Base-Backbone interact. energy: 2.658 local terms energy: -275.482063 where: bonds (distance) C4'-P energy: -46.245 bonds (distance) P-C4' energy: -82.110 flat angles C4'-P-C4' energy: -77.246 flat angles P-C4'-P energy: -51.302 tors. eta vs tors. theta energy: -18.579 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: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -517.098818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.098818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.098818 (E_RNA) where: Base-Base interactions energy: -259.309 where: short stacking energy: -143.469 Base-Backbone interact. energy: -1.616 local terms energy: -256.173438 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -86.689 flat angles C4'-P-C4' energy: -81.317 flat angles P-C4'-P energy: -26.041 tors. eta vs tors. theta energy: 2.829 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: 1, replica: 2 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1612.213868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.213868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.213868 (E_RNA) where: Base-Base interactions energy: -1121.583 where: short stacking energy: -453.046 Base-Backbone interact. energy: -2.007 local terms energy: -488.623802 where: bonds (distance) C4'-P energy: -89.316 bonds (distance) P-C4' energy: -95.677 flat angles C4'-P-C4' energy: -103.405 flat angles P-C4'-P energy: -66.916 tors. eta vs tors. theta energy: -133.309 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: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1567.605061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.605061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.605061 (E_RNA) where: Base-Base interactions energy: -1062.682 where: short stacking energy: -442.967 Base-Backbone interact. energy: -0.332 local terms energy: -504.590891 where: bonds (distance) C4'-P energy: -92.759 bonds (distance) P-C4' energy: -89.247 flat angles C4'-P-C4' energy: -104.448 flat angles P-C4'-P energy: -71.569 tors. eta vs tors. theta energy: -146.568 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: 3, replica: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1499.586597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.586597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.586597 (E_RNA) where: Base-Base interactions energy: -1033.210 where: short stacking energy: -429.170 Base-Backbone interact. energy: -0.159 local terms energy: -466.217492 where: bonds (distance) C4'-P energy: -86.300 bonds (distance) P-C4' energy: -95.459 flat angles C4'-P-C4' energy: -89.585 flat angles P-C4'-P energy: -70.075 tors. eta vs tors. theta energy: -124.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1409.964438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.964438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.964438 (E_RNA) where: Base-Base interactions energy: -964.857 where: short stacking energy: -395.115 Base-Backbone interact. energy: -0.170 local terms energy: -444.937355 where: bonds (distance) C4'-P energy: -80.628 bonds (distance) P-C4' energy: -86.884 flat angles C4'-P-C4' energy: -99.170 flat angles P-C4'-P energy: -64.521 tors. eta vs tors. theta energy: -113.734 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: 370 Temperature: 1.100000 Total energy: -1310.867410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.867410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.867410 (E_RNA) where: Base-Base interactions energy: -899.641 where: short stacking energy: -359.830 Base-Backbone interact. energy: -2.253 local terms energy: -408.974131 where: bonds (distance) C4'-P energy: -72.440 bonds (distance) P-C4' energy: -86.489 flat angles C4'-P-C4' energy: -84.819 flat angles P-C4'-P energy: -65.001 tors. eta vs tors. theta energy: -100.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1140.964475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.964475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.964475 (E_RNA) where: Base-Base interactions energy: -749.530 where: short stacking energy: -323.779 Base-Backbone interact. energy: -4.374 local terms energy: -387.060067 where: bonds (distance) C4'-P energy: -58.877 bonds (distance) P-C4' energy: -89.301 flat angles C4'-P-C4' energy: -82.788 flat angles P-C4'-P energy: -60.893 tors. eta vs tors. theta energy: -95.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1171.759491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.759491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.759491 (E_RNA) where: Base-Base interactions energy: -807.810 where: short stacking energy: -342.123 Base-Backbone interact. energy: 3.797 local terms energy: -367.746543 where: bonds (distance) C4'-P energy: -67.344 bonds (distance) P-C4' energy: -84.407 flat angles C4'-P-C4' energy: -77.248 flat angles P-C4'-P energy: -46.379 tors. eta vs tors. theta energy: -92.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -699.496446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.496446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.496446 (E_RNA) where: Base-Base interactions energy: -407.931 where: short stacking energy: -199.102 Base-Backbone interact. energy: 0.202 local terms energy: -291.767767 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -79.758 flat angles C4'-P-C4' energy: -76.381 flat angles P-C4'-P energy: -42.512 tors. eta vs tors. theta energy: -20.905 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: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -558.572713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.572713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.572713 (E_RNA) where: Base-Base interactions energy: -297.080 where: short stacking energy: -168.644 Base-Backbone interact. energy: 3.925 local terms energy: -265.417930 where: bonds (distance) C4'-P energy: -79.784 bonds (distance) P-C4' energy: -76.400 flat angles C4'-P-C4' energy: -57.253 flat angles P-C4'-P energy: -37.719 tors. eta vs tors. theta energy: -14.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -501.431985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.431985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.431985 (E_RNA) where: Base-Base interactions energy: -232.482 where: short stacking energy: -129.916 Base-Backbone interact. energy: 0.537 local terms energy: -269.486763 where: bonds (distance) C4'-P energy: -75.395 bonds (distance) P-C4' energy: -81.363 flat angles C4'-P-C4' energy: -70.071 flat angles P-C4'-P energy: -34.310 tors. eta vs tors. theta energy: -8.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1610.573501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.573501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.573501 (E_RNA) where: Base-Base interactions energy: -1094.494 where: short stacking energy: -436.836 Base-Backbone interact. energy: -2.329 local terms energy: -513.750821 where: bonds (distance) C4'-P energy: -89.594 bonds (distance) P-C4' energy: -100.118 flat angles C4'-P-C4' energy: -109.352 flat angles P-C4'-P energy: -78.359 tors. eta vs tors. theta energy: -136.328 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: 5 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1527.021532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.021532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.021532 (E_RNA) where: Base-Base interactions energy: -1042.408 where: short stacking energy: -432.526 Base-Backbone interact. energy: 1.871 local terms energy: -486.484281 where: bonds (distance) C4'-P energy: -77.790 bonds (distance) P-C4' energy: -90.800 flat angles C4'-P-C4' energy: -101.911 flat angles P-C4'-P energy: -72.432 tors. eta vs tors. theta energy: -143.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1477.693119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.693119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.693119 (E_RNA) where: Base-Base interactions energy: -1019.457 where: short stacking energy: -429.335 Base-Backbone interact. energy: -4.034 local terms energy: -454.202629 where: bonds (distance) C4'-P energy: -88.098 bonds (distance) P-C4' energy: -94.091 flat angles C4'-P-C4' energy: -97.470 flat angles P-C4'-P energy: -47.516 tors. eta vs tors. theta energy: -127.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1384.502655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.502655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.502655 (E_RNA) where: Base-Base interactions energy: -947.830 where: short stacking energy: -365.389 Base-Backbone interact. energy: -2.046 local terms energy: -434.626464 where: bonds (distance) C4'-P energy: -93.639 bonds (distance) P-C4' energy: -79.173 flat angles C4'-P-C4' energy: -83.297 flat angles P-C4'-P energy: -62.573 tors. eta vs tors. theta energy: -115.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1278.538418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.538418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.538418 (E_RNA) where: Base-Base interactions energy: -882.271 where: short stacking energy: -365.150 Base-Backbone interact. energy: -1.343 local terms energy: -394.924432 where: bonds (distance) C4'-P energy: -76.667 bonds (distance) P-C4' energy: -81.269 flat angles C4'-P-C4' energy: -91.010 flat angles P-C4'-P energy: -59.284 tors. eta vs tors. theta energy: -86.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1199.863771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.863771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.863771 (E_RNA) where: Base-Base interactions energy: -812.100 where: short stacking energy: -366.417 Base-Backbone interact. energy: 0.117 local terms energy: -387.881718 where: bonds (distance) C4'-P energy: -77.960 bonds (distance) P-C4' energy: -70.628 flat angles C4'-P-C4' energy: -85.850 flat angles P-C4'-P energy: -55.990 tors. eta vs tors. theta energy: -97.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1089.978299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.978299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.978299 (E_RNA) where: Base-Base interactions energy: -711.682 where: short stacking energy: -297.296 Base-Backbone interact. energy: -0.569 local terms energy: -377.727259 where: bonds (distance) C4'-P energy: -78.971 bonds (distance) P-C4' energy: -79.940 flat angles C4'-P-C4' energy: -93.406 flat angles P-C4'-P energy: -50.619 tors. eta vs tors. theta energy: -74.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -570.758426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.758426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.758426 (E_RNA) where: Base-Base interactions energy: -294.450 where: short stacking energy: -158.275 Base-Backbone interact. energy: 2.139 local terms energy: -278.447788 where: bonds (distance) C4'-P energy: -85.039 bonds (distance) P-C4' energy: -79.329 flat angles C4'-P-C4' energy: -68.522 flat angles P-C4'-P energy: -50.165 tors. eta vs tors. theta energy: 4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -699.774981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.774981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.774981 (E_RNA) where: Base-Base interactions energy: -397.474 where: short stacking energy: -184.190 Base-Backbone interact. energy: 3.701 local terms energy: -306.002381 where: bonds (distance) C4'-P energy: -73.714 bonds (distance) P-C4' energy: -87.577 flat angles C4'-P-C4' energy: -65.859 flat angles P-C4'-P energy: -54.831 tors. eta vs tors. theta energy: -24.021 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: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -527.940885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.940885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.940885 (E_RNA) where: Base-Base interactions energy: -271.005 where: short stacking energy: -146.263 Base-Backbone interact. energy: 0.812 local terms energy: -257.748564 where: bonds (distance) C4'-P energy: -83.625 bonds (distance) P-C4' energy: -64.391 flat angles C4'-P-C4' energy: -56.840 flat angles P-C4'-P energy: -52.338 tors. eta vs tors. theta energy: -0.555 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: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1586.857401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.857401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.857401 (E_RNA) where: Base-Base interactions energy: -1114.754 where: short stacking energy: -448.204 Base-Backbone interact. energy: 0.767 local terms energy: -472.870572 where: bonds (distance) C4'-P energy: -85.819 bonds (distance) P-C4' energy: -91.098 flat angles C4'-P-C4' energy: -99.205 flat angles P-C4'-P energy: -67.215 tors. eta vs tors. theta energy: -129.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1539.059318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.059318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.059318 (E_RNA) where: Base-Base interactions energy: -1056.836 where: short stacking energy: -444.655 Base-Backbone interact. energy: -0.320 local terms energy: -481.902587 where: bonds (distance) C4'-P energy: -90.297 bonds (distance) P-C4' energy: -87.795 flat angles C4'-P-C4' energy: -91.213 flat angles P-C4'-P energy: -71.181 tors. eta vs tors. theta energy: -141.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1469.274311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.274311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.274311 (E_RNA) where: Base-Base interactions energy: -1017.403 where: short stacking energy: -417.866 Base-Backbone interact. energy: -1.623 local terms energy: -450.249020 where: bonds (distance) C4'-P energy: -95.790 bonds (distance) P-C4' energy: -74.978 flat angles C4'-P-C4' energy: -102.059 flat angles P-C4'-P energy: -58.792 tors. eta vs tors. theta energy: -118.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1391.263367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.263367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.263367 (E_RNA) where: Base-Base interactions energy: -957.321 where: short stacking energy: -398.291 Base-Backbone interact. energy: -1.969 local terms energy: -431.972935 where: bonds (distance) C4'-P energy: -60.500 bonds (distance) P-C4' energy: -91.005 flat angles C4'-P-C4' energy: -97.643 flat angles P-C4'-P energy: -59.327 tors. eta vs tors. theta energy: -123.497 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: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1264.986216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.986216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.986216 (E_RNA) where: Base-Base interactions energy: -869.360 where: short stacking energy: -353.299 Base-Backbone interact. energy: 0.858 local terms energy: -396.484156 where: bonds (distance) C4'-P energy: -82.691 bonds (distance) P-C4' energy: -76.212 flat angles C4'-P-C4' energy: -84.242 flat angles P-C4'-P energy: -62.102 tors. eta vs tors. theta energy: -91.237 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: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1175.169720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.169720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.169720 (E_RNA) where: Base-Base interactions energy: -764.022 where: short stacking energy: -345.936 Base-Backbone interact. energy: -1.527 local terms energy: -409.620839 where: bonds (distance) C4'-P energy: -74.875 bonds (distance) P-C4' energy: -70.154 flat angles C4'-P-C4' energy: -94.501 flat angles P-C4'-P energy: -71.930 tors. eta vs tors. theta energy: -98.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1098.937152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.937152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.937152 (E_RNA) where: Base-Base interactions energy: -727.018 where: short stacking energy: -311.807 Base-Backbone interact. energy: 1.949 local terms energy: -373.868246 where: bonds (distance) C4'-P energy: -77.570 bonds (distance) P-C4' energy: -71.108 flat angles C4'-P-C4' energy: -91.280 flat angles P-C4'-P energy: -55.314 tors. eta vs tors. theta energy: -78.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -609.843625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.843625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.843625 (E_RNA) where: Base-Base interactions energy: -295.752 where: short stacking energy: -155.150 Base-Backbone interact. energy: -0.781 local terms energy: -313.310560 where: bonds (distance) C4'-P energy: -73.859 bonds (distance) P-C4' energy: -95.733 flat angles C4'-P-C4' energy: -72.460 flat angles P-C4'-P energy: -46.538 tors. eta vs tors. theta energy: -24.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -679.324432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.324432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.324432 (E_RNA) where: Base-Base interactions energy: -402.449 where: short stacking energy: -200.789 Base-Backbone interact. energy: 9.806 local terms energy: -286.680727 where: bonds (distance) C4'-P energy: -71.351 bonds (distance) P-C4' energy: -82.247 flat angles C4'-P-C4' energy: -70.525 flat angles P-C4'-P energy: -41.217 tors. eta vs tors. theta energy: -21.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -537.485285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.485285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.485285 (E_RNA) where: Base-Base interactions energy: -291.960 where: short stacking energy: -138.832 Base-Backbone interact. energy: -1.704 local terms energy: -243.821240 where: bonds (distance) C4'-P energy: -62.997 bonds (distance) P-C4' energy: -68.859 flat angles C4'-P-C4' energy: -65.515 flat angles P-C4'-P energy: -36.744 tors. eta vs tors. theta energy: -9.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1620.123557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.123557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.123557 (E_RNA) where: Base-Base interactions energy: -1134.570 where: short stacking energy: -468.294 Base-Backbone interact. energy: 2.265 local terms energy: -487.817680 where: bonds (distance) C4'-P energy: -80.761 bonds (distance) P-C4' energy: -94.770 flat angles C4'-P-C4' energy: -109.371 flat angles P-C4'-P energy: -64.880 tors. eta vs tors. theta energy: -138.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1556.298608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.298608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.298608 (E_RNA) where: Base-Base interactions energy: -1073.658 where: short stacking energy: -456.112 Base-Backbone interact. energy: -1.163 local terms energy: -481.477462 where: bonds (distance) C4'-P energy: -78.400 bonds (distance) P-C4' energy: -91.445 flat angles C4'-P-C4' energy: -104.382 flat angles P-C4'-P energy: -61.474 tors. eta vs tors. theta energy: -145.776 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: 373 Temperature: 1.000000 Total energy: -1482.140054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.140054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.140054 (E_RNA) where: Base-Base interactions energy: -1048.459 where: short stacking energy: -422.467 Base-Backbone interact. energy: -2.046 local terms energy: -431.635183 where: bonds (distance) C4'-P energy: -77.071 bonds (distance) P-C4' energy: -80.037 flat angles C4'-P-C4' energy: -93.108 flat angles P-C4'-P energy: -58.064 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: 4, replica: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1409.949253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.949253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.949253 (E_RNA) where: Base-Base interactions energy: -945.580 where: short stacking energy: -398.890 Base-Backbone interact. energy: -0.075 local terms energy: -464.294369 where: bonds (distance) C4'-P energy: -86.895 bonds (distance) P-C4' energy: -79.314 flat angles C4'-P-C4' energy: -102.454 flat angles P-C4'-P energy: -72.718 tors. eta vs tors. theta energy: -122.914 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: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1276.744884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.744884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.744884 (E_RNA) where: Base-Base interactions energy: -846.053 where: short stacking energy: -344.703 Base-Backbone interact. energy: -2.719 local terms energy: -427.973122 where: bonds (distance) C4'-P energy: -91.299 bonds (distance) P-C4' energy: -80.638 flat angles C4'-P-C4' energy: -95.571 flat angles P-C4'-P energy: -65.695 tors. eta vs tors. theta energy: -94.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1241.155077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.155077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.155077 (E_RNA) where: Base-Base interactions energy: -830.740 where: short stacking energy: -370.404 Base-Backbone interact. energy: 0.889 local terms energy: -411.304865 where: bonds (distance) C4'-P energy: -76.531 bonds (distance) P-C4' energy: -82.919 flat angles C4'-P-C4' energy: -91.862 flat angles P-C4'-P energy: -60.650 tors. eta vs tors. theta energy: -99.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1114.200167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.200167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.200167 (E_RNA) where: Base-Base interactions energy: -710.750 where: short stacking energy: -322.082 Base-Backbone interact. energy: -0.528 local terms energy: -402.922169 where: bonds (distance) C4'-P energy: -80.283 bonds (distance) P-C4' energy: -88.060 flat angles C4'-P-C4' energy: -95.400 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -84.427 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: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -658.655476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.655476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.655476 (E_RNA) where: Base-Base interactions energy: -366.275 where: short stacking energy: -183.847 Base-Backbone interact. energy: -0.658 local terms energy: -291.722230 where: bonds (distance) C4'-P energy: -68.184 bonds (distance) P-C4' energy: -84.281 flat angles C4'-P-C4' energy: -68.671 flat angles P-C4'-P energy: -49.551 tors. eta vs tors. theta energy: -21.035 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: 9, replica: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -562.473587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.473587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.473587 (E_RNA) where: Base-Base interactions energy: -290.132 where: short stacking energy: -171.212 Base-Backbone interact. energy: -0.249 local terms energy: -272.092139 where: bonds (distance) C4'-P energy: -73.398 bonds (distance) P-C4' energy: -69.140 flat angles C4'-P-C4' energy: -71.365 flat angles P-C4'-P energy: -51.899 tors. eta vs tors. theta energy: -6.290 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: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -510.472302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.472302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.472302 (E_RNA) where: Base-Base interactions energy: -281.644 where: short stacking energy: -149.888 Base-Backbone interact. energy: 0.469 local terms energy: -229.296587 where: bonds (distance) C4'-P energy: -84.888 bonds (distance) P-C4' energy: -66.059 flat angles C4'-P-C4' energy: -60.885 flat angles P-C4'-P energy: -22.207 tors. eta vs tors. theta energy: 4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1605.762327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.762327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.762327 (E_RNA) where: Base-Base interactions energy: -1126.910 where: short stacking energy: -462.869 Base-Backbone interact. energy: -1.824 local terms energy: -477.027977 where: bonds (distance) C4'-P energy: -87.308 bonds (distance) P-C4' energy: -89.324 flat angles C4'-P-C4' energy: -102.711 flat angles P-C4'-P energy: -64.858 tors. eta vs tors. theta energy: -132.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1510.836073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.836073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.836073 (E_RNA) where: Base-Base interactions energy: -1023.862 where: short stacking energy: -433.363 Base-Backbone interact. energy: -3.025 local terms energy: -483.948852 where: bonds (distance) C4'-P energy: -89.334 bonds (distance) P-C4' energy: -99.235 flat angles C4'-P-C4' energy: -95.294 flat angles P-C4'-P energy: -63.198 tors. eta vs tors. theta energy: -136.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1475.566077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.566077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.566077 (E_RNA) where: Base-Base interactions energy: -1028.396 where: short stacking energy: -425.247 Base-Backbone interact. energy: -0.032 local terms energy: -447.138028 where: bonds (distance) C4'-P energy: -83.242 bonds (distance) P-C4' energy: -95.596 flat angles C4'-P-C4' energy: -89.617 flat angles P-C4'-P energy: -64.484 tors. eta vs tors. theta energy: -114.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1394.414933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.414933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.414933 (E_RNA) where: Base-Base interactions energy: -930.526 where: short stacking energy: -378.884 Base-Backbone interact. energy: -0.500 local terms energy: -463.388987 where: bonds (distance) C4'-P energy: -89.314 bonds (distance) P-C4' energy: -93.407 flat angles C4'-P-C4' energy: -94.018 flat angles P-C4'-P energy: -68.539 tors. eta vs tors. theta energy: -118.111 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: 374 Temperature: 1.100000 Total energy: -1289.797137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.797137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.797137 (E_RNA) where: Base-Base interactions energy: -858.655 where: short stacking energy: -349.494 Base-Backbone interact. energy: 0.156 local terms energy: -431.298325 where: bonds (distance) C4'-P energy: -89.517 bonds (distance) P-C4' energy: -86.754 flat angles C4'-P-C4' energy: -90.370 flat angles P-C4'-P energy: -69.532 tors. eta vs tors. theta energy: -95.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1231.625160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.625160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.625160 (E_RNA) where: Base-Base interactions energy: -823.373 where: short stacking energy: -354.365 Base-Backbone interact. energy: 0.921 local terms energy: -409.173163 where: bonds (distance) C4'-P energy: -78.798 bonds (distance) P-C4' energy: -80.942 flat angles C4'-P-C4' energy: -94.677 flat angles P-C4'-P energy: -69.403 tors. eta vs tors. theta energy: -85.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1119.342483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.342483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.342483 (E_RNA) where: Base-Base interactions energy: -740.580 where: short stacking energy: -330.321 Base-Backbone interact. energy: -2.141 local terms energy: -376.621009 where: bonds (distance) C4'-P energy: -78.449 bonds (distance) P-C4' energy: -72.274 flat angles C4'-P-C4' energy: -85.714 flat angles P-C4'-P energy: -57.006 tors. eta vs tors. theta energy: -83.178 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: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -664.973582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.973582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.973582 (E_RNA) where: Base-Base interactions energy: -376.630 where: short stacking energy: -176.928 Base-Backbone interact. energy: -1.760 local terms energy: -286.583017 where: bonds (distance) C4'-P energy: -85.002 bonds (distance) P-C4' energy: -72.073 flat angles C4'-P-C4' energy: -70.774 flat angles P-C4'-P energy: -42.811 tors. eta vs tors. theta energy: -15.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -588.527065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.527065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.527065 (E_RNA) where: Base-Base interactions energy: -280.321 where: short stacking energy: -160.291 Base-Backbone interact. energy: -2.036 local terms energy: -306.170013 where: bonds (distance) C4'-P energy: -85.078 bonds (distance) P-C4' energy: -85.694 flat angles C4'-P-C4' energy: -76.982 flat angles P-C4'-P energy: -37.285 tors. eta vs tors. theta energy: -21.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -518.936570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.936570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.936570 (E_RNA) where: Base-Base interactions energy: -272.806 where: short stacking energy: -151.013 Base-Backbone interact. energy: 3.548 local terms energy: -249.678385 where: bonds (distance) C4'-P energy: -66.390 bonds (distance) P-C4' energy: -77.012 flat angles C4'-P-C4' energy: -75.983 flat angles P-C4'-P energy: -27.721 tors. eta vs tors. theta energy: -2.573 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: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1612.686450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.686450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.686450 (E_RNA) where: Base-Base interactions energy: -1120.469 where: short stacking energy: -460.584 Base-Backbone interact. energy: -2.006 local terms energy: -490.211986 where: bonds (distance) C4'-P energy: -93.074 bonds (distance) P-C4' energy: -87.275 flat angles C4'-P-C4' energy: -94.474 flat angles P-C4'-P energy: -69.405 tors. eta vs tors. theta energy: -145.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1545.793418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.793418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.793418 (E_RNA) where: Base-Base interactions energy: -1051.354 where: short stacking energy: -446.664 Base-Backbone interact. energy: -0.363 local terms energy: -494.076750 where: bonds (distance) C4'-P energy: -87.774 bonds (distance) P-C4' energy: -92.886 flat angles C4'-P-C4' energy: -104.643 flat angles P-C4'-P energy: -70.142 tors. eta vs tors. theta energy: -138.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1499.544286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.544286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.544286 (E_RNA) where: Base-Base interactions energy: -1047.783 where: short stacking energy: -434.576 Base-Backbone interact. energy: 1.242 local terms energy: -453.003193 where: bonds (distance) C4'-P energy: -83.365 bonds (distance) P-C4' energy: -88.691 flat angles C4'-P-C4' energy: -99.013 flat angles P-C4'-P energy: -61.726 tors. eta vs tors. theta energy: -120.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1413.097407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.097407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.097407 (E_RNA) where: Base-Base interactions energy: -961.888 where: short stacking energy: -384.333 Base-Backbone interact. energy: -3.901 local terms energy: -447.308216 where: bonds (distance) C4'-P energy: -85.517 bonds (distance) P-C4' energy: -86.968 flat angles C4'-P-C4' energy: -96.719 flat angles P-C4'-P energy: -57.714 tors. eta vs tors. theta energy: -120.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1265.758663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.758663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.758663 (E_RNA) where: Base-Base interactions energy: -848.772 where: short stacking energy: -365.890 Base-Backbone interact. energy: -3.058 local terms energy: -413.928247 where: bonds (distance) C4'-P energy: -89.745 bonds (distance) P-C4' energy: -80.832 flat angles C4'-P-C4' energy: -81.653 flat angles P-C4'-P energy: -60.474 tors. eta vs tors. theta energy: -101.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1234.141187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.141187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.141187 (E_RNA) where: Base-Base interactions energy: -818.348 where: short stacking energy: -374.181 Base-Backbone interact. energy: 0.872 local terms energy: -416.665409 where: bonds (distance) C4'-P energy: -81.801 bonds (distance) P-C4' energy: -79.696 flat angles C4'-P-C4' energy: -97.988 flat angles P-C4'-P energy: -52.500 tors. eta vs tors. theta energy: -104.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1009.357603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.357603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.357603 (E_RNA) where: Base-Base interactions energy: -668.266 where: short stacking energy: -301.902 Base-Backbone interact. energy: 1.433 local terms energy: -342.524906 where: bonds (distance) C4'-P energy: -66.443 bonds (distance) P-C4' energy: -67.340 flat angles C4'-P-C4' energy: -74.017 flat angles P-C4'-P energy: -58.010 tors. eta vs tors. theta energy: -76.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -625.350334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.350334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.350334 (E_RNA) where: Base-Base interactions energy: -333.473 where: short stacking energy: -166.590 Base-Backbone interact. energy: -2.149 local terms energy: -289.728323 where: bonds (distance) C4'-P energy: -86.766 bonds (distance) P-C4' energy: -85.688 flat angles C4'-P-C4' energy: -56.846 flat angles P-C4'-P energy: -42.635 tors. eta vs tors. theta energy: -17.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -544.481084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.481084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.481084 (E_RNA) where: Base-Base interactions energy: -289.350 where: short stacking energy: -151.829 Base-Backbone interact. energy: 2.414 local terms energy: -257.545894 where: bonds (distance) C4'-P energy: -59.260 bonds (distance) P-C4' energy: -76.121 flat angles C4'-P-C4' energy: -58.928 flat angles P-C4'-P energy: -50.600 tors. eta vs tors. theta energy: -12.637 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: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -523.473305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.473305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.473305 (E_RNA) where: Base-Base interactions energy: -244.350 where: short stacking energy: -141.198 Base-Backbone interact. energy: -1.141 local terms energy: -277.981557 where: bonds (distance) C4'-P energy: -65.094 bonds (distance) P-C4' energy: -91.332 flat angles C4'-P-C4' energy: -71.079 flat angles P-C4'-P energy: -42.526 tors. eta vs tors. theta energy: -7.950 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: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1629.511483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.511483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.511483 (E_RNA) where: Base-Base interactions energy: -1123.978 where: short stacking energy: -473.441 Base-Backbone interact. energy: 2.738 local terms energy: -508.270994 where: bonds (distance) C4'-P energy: -80.744 bonds (distance) P-C4' energy: -103.082 flat angles C4'-P-C4' energy: -108.862 flat angles P-C4'-P energy: -73.628 tors. eta vs tors. theta energy: -141.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1566.037462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.037462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.037462 (E_RNA) where: Base-Base interactions energy: -1071.882 where: short stacking energy: -448.513 Base-Backbone interact. energy: -1.541 local terms energy: -492.614764 where: bonds (distance) C4'-P energy: -89.425 bonds (distance) P-C4' energy: -89.200 flat angles C4'-P-C4' energy: -108.044 flat angles P-C4'-P energy: -65.994 tors. eta vs tors. theta energy: -139.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1507.454820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.454820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.454820 (E_RNA) where: Base-Base interactions energy: -1046.085 where: short stacking energy: -444.824 Base-Backbone interact. energy: -2.269 local terms energy: -459.101260 where: bonds (distance) C4'-P energy: -84.893 bonds (distance) P-C4' energy: -83.716 flat angles C4'-P-C4' energy: -100.854 flat angles P-C4'-P energy: -62.600 tors. eta vs tors. theta energy: -127.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1428.864447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.864447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.864447 (E_RNA) where: Base-Base interactions energy: -972.899 where: short stacking energy: -387.947 Base-Backbone interact. energy: -1.437 local terms energy: -454.528805 where: bonds (distance) C4'-P energy: -86.662 bonds (distance) P-C4' energy: -88.375 flat angles C4'-P-C4' energy: -86.860 flat angles P-C4'-P energy: -63.813 tors. eta vs tors. theta energy: -128.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1305.838160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.838160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.838160 (E_RNA) where: Base-Base interactions energy: -852.798 where: short stacking energy: -374.847 Base-Backbone interact. energy: -0.753 local terms energy: -452.287173 where: bonds (distance) C4'-P energy: -89.059 bonds (distance) P-C4' energy: -90.736 flat angles C4'-P-C4' energy: -99.659 flat angles P-C4'-P energy: -64.830 tors. eta vs tors. theta energy: -108.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1181.590408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.590408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.590408 (E_RNA) where: Base-Base interactions energy: -812.378 where: short stacking energy: -336.710 Base-Backbone interact. energy: 0.910 local terms energy: -370.122404 where: bonds (distance) C4'-P energy: -82.463 bonds (distance) P-C4' energy: -73.936 flat angles C4'-P-C4' energy: -80.329 flat angles P-C4'-P energy: -50.706 tors. eta vs tors. theta energy: -82.689 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: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1011.725717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.725717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.725717 (E_RNA) where: Base-Base interactions energy: -651.699 where: short stacking energy: -285.577 Base-Backbone interact. energy: 2.227 local terms energy: -362.253931 where: bonds (distance) C4'-P energy: -77.817 bonds (distance) P-C4' energy: -72.506 flat angles C4'-P-C4' energy: -86.356 flat angles P-C4'-P energy: -50.091 tors. eta vs tors. theta energy: -75.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -684.157517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.157517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.157517 (E_RNA) where: Base-Base interactions energy: -409.708 where: short stacking energy: -214.259 Base-Backbone interact. energy: 2.443 local terms energy: -276.892190 where: bonds (distance) C4'-P energy: -78.492 bonds (distance) P-C4' energy: -67.689 flat angles C4'-P-C4' energy: -82.140 flat angles P-C4'-P energy: -29.837 tors. eta vs tors. theta energy: -18.734 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: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -549.848742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.848742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.848742 (E_RNA) where: Base-Base interactions energy: -275.041 where: short stacking energy: -165.784 Base-Backbone interact. energy: 0.762 local terms energy: -275.569467 where: bonds (distance) C4'-P energy: -89.004 bonds (distance) P-C4' energy: -71.136 flat angles C4'-P-C4' energy: -59.752 flat angles P-C4'-P energy: -45.902 tors. eta vs tors. theta energy: -9.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -507.438742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.438742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.438742 (E_RNA) where: Base-Base interactions energy: -276.290 where: short stacking energy: -151.676 Base-Backbone interact. energy: -4.626 local terms energy: -226.522766 where: bonds (distance) C4'-P energy: -64.028 bonds (distance) P-C4' energy: -57.053 flat angles C4'-P-C4' energy: -71.717 flat angles P-C4'-P energy: -38.117 tors. eta vs tors. theta energy: 4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1635.685139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.685139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.685139 (E_RNA) where: Base-Base interactions energy: -1150.752 where: short stacking energy: -464.477 Base-Backbone interact. energy: -3.580 local terms energy: -481.353758 where: bonds (distance) C4'-P energy: -88.501 bonds (distance) P-C4' energy: -80.065 flat angles C4'-P-C4' energy: -96.794 flat angles P-C4'-P energy: -75.538 tors. eta vs tors. theta energy: -140.456 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: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1574.422964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.422964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.422964 (E_RNA) where: Base-Base interactions energy: -1078.944 where: short stacking energy: -471.338 Base-Backbone interact. energy: -2.448 local terms energy: -493.030130 where: bonds (distance) C4'-P energy: -78.446 bonds (distance) P-C4' energy: -89.294 flat angles C4'-P-C4' energy: -102.814 flat angles P-C4'-P energy: -74.557 tors. eta vs tors. theta energy: -147.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1491.521007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.521007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.521007 (E_RNA) where: Base-Base interactions energy: -1033.675 where: short stacking energy: -410.026 Base-Backbone interact. energy: -2.128 local terms energy: -455.717513 where: bonds (distance) C4'-P energy: -78.354 bonds (distance) P-C4' energy: -85.969 flat angles C4'-P-C4' energy: -105.700 flat angles P-C4'-P energy: -67.765 tors. eta vs tors. theta energy: -117.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1442.918075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.918075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.918075 (E_RNA) where: Base-Base interactions energy: -971.304 where: short stacking energy: -404.096 Base-Backbone interact. energy: -2.530 local terms energy: -469.083475 where: bonds (distance) C4'-P energy: -93.623 bonds (distance) P-C4' energy: -98.021 flat angles C4'-P-C4' energy: -92.051 flat angles P-C4'-P energy: -62.888 tors. eta vs tors. theta energy: -122.500 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: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1317.943058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.943058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.943058 (E_RNA) where: Base-Base interactions energy: -880.346 where: short stacking energy: -392.898 Base-Backbone interact. energy: 1.229 local terms energy: -438.825630 where: bonds (distance) C4'-P energy: -82.748 bonds (distance) P-C4' energy: -95.371 flat angles C4'-P-C4' energy: -88.842 flat angles P-C4'-P energy: -61.577 tors. eta vs tors. theta energy: -110.288 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: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1123.521227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.521227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.521227 (E_RNA) where: Base-Base interactions energy: -765.393 where: short stacking energy: -296.478 Base-Backbone interact. energy: -4.628 local terms energy: -353.499915 where: bonds (distance) C4'-P energy: -56.148 bonds (distance) P-C4' energy: -89.019 flat angles C4'-P-C4' energy: -82.199 flat angles P-C4'-P energy: -49.733 tors. eta vs tors. theta energy: -76.401 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: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1044.982939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.982939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.982939 (E_RNA) where: Base-Base interactions energy: -678.643 where: short stacking energy: -308.902 Base-Backbone interact. energy: -1.197 local terms energy: -365.143059 where: bonds (distance) C4'-P energy: -69.771 bonds (distance) P-C4' energy: -72.755 flat angles C4'-P-C4' energy: -92.549 flat angles P-C4'-P energy: -52.894 tors. eta vs tors. theta energy: -77.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -692.265034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.265034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.265034 (E_RNA) where: Base-Base interactions energy: -424.291 where: short stacking energy: -216.379 Base-Backbone interact. energy: 1.455 local terms energy: -269.429246 where: bonds (distance) C4'-P energy: -81.332 bonds (distance) P-C4' energy: -67.286 flat angles C4'-P-C4' energy: -60.644 flat angles P-C4'-P energy: -37.291 tors. eta vs tors. theta energy: -22.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -616.102574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.102574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.102574 (E_RNA) where: Base-Base interactions energy: -341.149 where: short stacking energy: -184.860 Base-Backbone interact. energy: 2.538 local terms energy: -277.492125 where: bonds (distance) C4'-P energy: -81.267 bonds (distance) P-C4' energy: -80.991 flat angles C4'-P-C4' energy: -36.819 flat angles P-C4'-P energy: -54.168 tors. eta vs tors. theta energy: -24.247 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: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -521.777069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.777069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.777069 (E_RNA) where: Base-Base interactions energy: -262.904 where: short stacking energy: -133.635 Base-Backbone interact. energy: 0.547 local terms energy: -259.419803 where: bonds (distance) C4'-P energy: -56.208 bonds (distance) P-C4' energy: -78.374 flat angles C4'-P-C4' energy: -68.245 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -11.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1643.141382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.141382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.141382 (E_RNA) where: Base-Base interactions energy: -1154.604 where: short stacking energy: -479.216 Base-Backbone interact. energy: -3.735 local terms energy: -484.802344 where: bonds (distance) C4'-P energy: -91.534 bonds (distance) P-C4' energy: -92.340 flat angles C4'-P-C4' energy: -96.074 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -142.187 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: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1571.916352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.916352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.916352 (E_RNA) where: Base-Base interactions energy: -1073.421 where: short stacking energy: -468.072 Base-Backbone interact. energy: -1.531 local terms energy: -496.963959 where: bonds (distance) C4'-P energy: -99.359 bonds (distance) P-C4' energy: -94.517 flat angles C4'-P-C4' energy: -95.950 flat angles P-C4'-P energy: -68.935 tors. eta vs tors. theta energy: -138.204 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: 4 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1486.701700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.701700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.701700 (E_RNA) where: Base-Base interactions energy: -1024.501 where: short stacking energy: -424.972 Base-Backbone interact. energy: -0.298 local terms energy: -461.902766 where: bonds (distance) C4'-P energy: -84.540 bonds (distance) P-C4' energy: -81.895 flat angles C4'-P-C4' energy: -108.331 flat angles P-C4'-P energy: -65.296 tors. eta vs tors. theta energy: -121.842 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: 8 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1465.314025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.314025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.314025 (E_RNA) where: Base-Base interactions energy: -1024.621 where: short stacking energy: -432.813 Base-Backbone interact. energy: 0.616 local terms energy: -441.309159 where: bonds (distance) C4'-P energy: -79.280 bonds (distance) P-C4' energy: -72.036 flat angles C4'-P-C4' energy: -98.236 flat angles P-C4'-P energy: -68.590 tors. eta vs tors. theta energy: -123.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1340.909631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.909631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.909631 (E_RNA) where: Base-Base interactions energy: -921.679 where: short stacking energy: -390.009 Base-Backbone interact. energy: -0.380 local terms energy: -418.850982 where: bonds (distance) C4'-P energy: -78.652 bonds (distance) P-C4' energy: -85.327 flat angles C4'-P-C4' energy: -81.460 flat angles P-C4'-P energy: -63.181 tors. eta vs tors. theta energy: -110.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1108.280435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.280435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.280435 (E_RNA) where: Base-Base interactions energy: -728.502 where: short stacking energy: -300.827 Base-Backbone interact. energy: -3.389 local terms energy: -376.389796 where: bonds (distance) C4'-P energy: -91.666 bonds (distance) P-C4' energy: -83.689 flat angles C4'-P-C4' energy: -83.729 flat angles P-C4'-P energy: -51.277 tors. eta vs tors. theta energy: -66.029 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: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1053.895305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.895305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.895305 (E_RNA) where: Base-Base interactions energy: -689.757 where: short stacking energy: -313.654 Base-Backbone interact. energy: -0.971 local terms energy: -363.166959 where: bonds (distance) C4'-P energy: -78.531 bonds (distance) P-C4' energy: -78.217 flat angles C4'-P-C4' energy: -77.128 flat angles P-C4'-P energy: -50.673 tors. eta vs tors. theta energy: -78.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -686.684373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.684373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.684373 (E_RNA) where: Base-Base interactions energy: -393.250 where: short stacking energy: -206.201 Base-Backbone interact. energy: -4.121 local terms energy: -289.312808 where: bonds (distance) C4'-P energy: -71.968 bonds (distance) P-C4' energy: -69.411 flat angles C4'-P-C4' energy: -78.584 flat angles P-C4'-P energy: -41.626 tors. eta vs tors. theta energy: -27.723 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: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -597.088667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.088667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.088667 (E_RNA) where: Base-Base interactions energy: -327.656 where: short stacking energy: -166.701 Base-Backbone interact. energy: -3.200 local terms energy: -266.232600 where: bonds (distance) C4'-P energy: -75.147 bonds (distance) P-C4' energy: -75.576 flat angles C4'-P-C4' energy: -56.887 flat angles P-C4'-P energy: -37.307 tors. eta vs tors. theta energy: -21.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -527.756224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.756224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.756224 (E_RNA) where: Base-Base interactions energy: -281.820 where: short stacking energy: -151.040 Base-Backbone interact. energy: -0.478 local terms energy: -245.458389 where: bonds (distance) C4'-P energy: -64.938 bonds (distance) P-C4' energy: -84.027 flat angles C4'-P-C4' energy: -62.615 flat angles P-C4'-P energy: -29.645 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1632.684230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.684230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.684230 (E_RNA) where: Base-Base interactions energy: -1138.702 where: short stacking energy: -465.058 Base-Backbone interact. energy: -3.552 local terms energy: -490.430348 where: bonds (distance) C4'-P energy: -95.922 bonds (distance) P-C4' energy: -83.240 flat angles C4'-P-C4' energy: -104.804 flat angles P-C4'-P energy: -70.078 tors. eta vs tors. theta energy: -136.386 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: 5 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1553.154233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.154233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.154233 (E_RNA) where: Base-Base interactions energy: -1056.911 where: short stacking energy: -462.915 Base-Backbone interact. energy: -1.625 local terms energy: -494.618034 where: bonds (distance) C4'-P energy: -89.427 bonds (distance) P-C4' energy: -89.108 flat angles C4'-P-C4' energy: -103.676 flat angles P-C4'-P energy: -67.194 tors. eta vs tors. theta energy: -145.212 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: 3, replica: 4 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1478.419893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.419893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.419893 (E_RNA) where: Base-Base interactions energy: -1023.637 where: short stacking energy: -437.594 Base-Backbone interact. energy: -2.248 local terms energy: -452.534644 where: bonds (distance) C4'-P energy: -72.465 bonds (distance) P-C4' energy: -92.420 flat angles C4'-P-C4' energy: -99.025 flat angles P-C4'-P energy: -55.181 tors. eta vs tors. theta energy: -133.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1455.226269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.226269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.226269 (E_RNA) where: Base-Base interactions energy: -1034.597 where: short stacking energy: -401.148 Base-Backbone interact. energy: 2.172 local terms energy: -422.801407 where: bonds (distance) C4'-P energy: -79.546 bonds (distance) P-C4' energy: -67.604 flat angles C4'-P-C4' energy: -92.580 flat angles P-C4'-P energy: -66.728 tors. eta vs tors. theta energy: -116.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1381.822051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.822051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.822051 (E_RNA) where: Base-Base interactions energy: -932.309 where: short stacking energy: -412.823 Base-Backbone interact. energy: -0.851 local terms energy: -448.662470 where: bonds (distance) C4'-P energy: -74.058 bonds (distance) P-C4' energy: -89.177 flat angles C4'-P-C4' energy: -104.512 flat angles P-C4'-P energy: -62.312 tors. eta vs tors. theta energy: -118.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1092.881658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.881658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.881658 (E_RNA) where: Base-Base interactions energy: -697.170 where: short stacking energy: -311.564 Base-Backbone interact. energy: -0.897 local terms energy: -394.815089 where: bonds (distance) C4'-P energy: -85.526 bonds (distance) P-C4' energy: -84.336 flat angles C4'-P-C4' energy: -83.893 flat angles P-C4'-P energy: -62.666 tors. eta vs tors. theta energy: -78.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1090.232922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.232922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.232922 (E_RNA) where: Base-Base interactions energy: -710.879 where: short stacking energy: -306.991 Base-Backbone interact. energy: 0.863 local terms energy: -380.216989 where: bonds (distance) C4'-P energy: -76.771 bonds (distance) P-C4' energy: -82.144 flat angles C4'-P-C4' energy: -90.072 flat angles P-C4'-P energy: -49.864 tors. eta vs tors. theta energy: -81.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -717.490868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.490868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.490868 (E_RNA) where: Base-Base interactions energy: -420.886 where: short stacking energy: -193.773 Base-Backbone interact. energy: 0.575 local terms energy: -297.179857 where: bonds (distance) C4'-P energy: -85.369 bonds (distance) P-C4' energy: -77.611 flat angles C4'-P-C4' energy: -76.577 flat angles P-C4'-P energy: -41.122 tors. eta vs tors. theta energy: -16.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -551.769592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.769592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.769592 (E_RNA) where: Base-Base interactions energy: -296.795 where: short stacking energy: -144.349 Base-Backbone interact. energy: 1.346 local terms energy: -256.320814 where: bonds (distance) C4'-P energy: -67.745 bonds (distance) P-C4' energy: -74.394 flat angles C4'-P-C4' energy: -72.738 flat angles P-C4'-P energy: -38.752 tors. eta vs tors. theta energy: -2.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -507.556836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.556836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.556836 (E_RNA) where: Base-Base interactions energy: -263.117 where: short stacking energy: -139.301 Base-Backbone interact. energy: 3.799 local terms energy: -248.238042 where: bonds (distance) C4'-P energy: -71.671 bonds (distance) P-C4' energy: -76.755 flat angles C4'-P-C4' energy: -67.264 flat angles P-C4'-P energy: -29.332 tors. eta vs tors. theta energy: -3.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1606.552340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.552340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.552340 (E_RNA) where: Base-Base interactions energy: -1109.172 where: short stacking energy: -458.105 Base-Backbone interact. energy: -0.908 local terms energy: -496.472295 where: bonds (distance) C4'-P energy: -87.112 bonds (distance) P-C4' energy: -92.129 flat angles C4'-P-C4' energy: -100.587 flat angles P-C4'-P energy: -77.288 tors. eta vs tors. theta energy: -139.356 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: 2, replica: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1596.068259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.068259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.068259 (E_RNA) where: Base-Base interactions energy: -1109.345 where: short stacking energy: -444.822 Base-Backbone interact. energy: -1.066 local terms energy: -485.657750 where: bonds (distance) C4'-P energy: -87.567 bonds (distance) P-C4' energy: -90.233 flat angles C4'-P-C4' energy: -103.243 flat angles P-C4'-P energy: -70.941 tors. eta vs tors. theta energy: -133.674 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: 3, replica: 4 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1480.015843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.015843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.015843 (E_RNA) where: Base-Base interactions energy: -1004.719 where: short stacking energy: -421.517 Base-Backbone interact. energy: 1.494 local terms energy: -476.791139 where: bonds (distance) C4'-P energy: -87.609 bonds (distance) P-C4' energy: -91.441 flat angles C4'-P-C4' energy: -98.072 flat angles P-C4'-P energy: -67.465 tors. eta vs tors. theta energy: -132.204 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: 4, replica: 8 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1470.267560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.267560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.267560 (E_RNA) where: Base-Base interactions energy: -1019.931 where: short stacking energy: -406.989 Base-Backbone interact. energy: 0.459 local terms energy: -450.795375 where: bonds (distance) C4'-P energy: -91.627 bonds (distance) P-C4' energy: -72.011 flat angles C4'-P-C4' energy: -94.243 flat angles P-C4'-P energy: -66.299 tors. eta vs tors. theta energy: -126.615 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: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1385.757464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.757464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.757464 (E_RNA) where: Base-Base interactions energy: -928.906 where: short stacking energy: -404.407 Base-Backbone interact. energy: -1.489 local terms energy: -455.362472 where: bonds (distance) C4'-P energy: -81.027 bonds (distance) P-C4' energy: -95.259 flat angles C4'-P-C4' energy: -98.782 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: -126.256 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: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1115.217661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.217661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.217661 (E_RNA) where: Base-Base interactions energy: -753.531 where: short stacking energy: -324.395 Base-Backbone interact. energy: -1.621 local terms energy: -360.065544 where: bonds (distance) C4'-P energy: -76.208 bonds (distance) P-C4' energy: -61.179 flat angles C4'-P-C4' energy: -90.393 flat angles P-C4'-P energy: -48.892 tors. eta vs tors. theta energy: -83.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1002.879454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.879454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.879454 (E_RNA) where: Base-Base interactions energy: -650.151 where: short stacking energy: -296.254 Base-Backbone interact. energy: 6.524 local terms energy: -359.252359 where: bonds (distance) C4'-P energy: -62.312 bonds (distance) P-C4' energy: -81.134 flat angles C4'-P-C4' energy: -78.566 flat angles P-C4'-P energy: -53.318 tors. eta vs tors. theta energy: -83.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -695.043425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.043425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.043425 (E_RNA) where: Base-Base interactions energy: -423.135 where: short stacking energy: -200.104 Base-Backbone interact. energy: -0.446 local terms energy: -271.462466 where: bonds (distance) C4'-P energy: -58.489 bonds (distance) P-C4' energy: -81.454 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -44.995 tors. eta vs tors. theta energy: -20.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -526.097504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.097504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.097504 (E_RNA) where: Base-Base interactions energy: -265.142 where: short stacking energy: -138.187 Base-Backbone interact. energy: -2.366 local terms energy: -258.589967 where: bonds (distance) C4'-P energy: -82.901 bonds (distance) P-C4' energy: -73.405 flat angles C4'-P-C4' energy: -76.591 flat angles P-C4'-P energy: -32.632 tors. eta vs tors. theta energy: 6.938 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: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -515.307435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.307435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.307435 (E_RNA) where: Base-Base interactions energy: -266.955 where: short stacking energy: -146.675 Base-Backbone interact. energy: -0.357 local terms energy: -247.995160 where: bonds (distance) C4'-P energy: -84.975 bonds (distance) P-C4' energy: -71.076 flat angles C4'-P-C4' energy: -58.897 flat angles P-C4'-P energy: -35.509 tors. eta vs tors. theta energy: 2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1602.137470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.137470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.137470 (E_RNA) where: Base-Base interactions energy: -1092.278 where: short stacking energy: -466.505 Base-Backbone interact. energy: -0.928 local terms energy: -508.931972 where: bonds (distance) C4'-P energy: -95.682 bonds (distance) P-C4' energy: -96.445 flat angles C4'-P-C4' energy: -109.483 flat angles P-C4'-P energy: -60.133 tors. eta vs tors. theta energy: -147.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1587.263175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.263175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.263175 (E_RNA) where: Base-Base interactions energy: -1115.015 where: short stacking energy: -465.562 Base-Backbone interact. energy: -4.405 local terms energy: -467.843450 where: bonds (distance) C4'-P energy: -80.088 bonds (distance) P-C4' energy: -98.914 flat angles C4'-P-C4' energy: -92.308 flat angles P-C4'-P energy: -60.047 tors. eta vs tors. theta energy: -136.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1488.733842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.733842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.733842 (E_RNA) where: Base-Base interactions energy: -1018.551 where: short stacking energy: -413.747 Base-Backbone interact. energy: -3.070 local terms energy: -467.112889 where: bonds (distance) C4'-P energy: -82.987 bonds (distance) P-C4' energy: -86.706 flat angles C4'-P-C4' energy: -96.335 flat angles P-C4'-P energy: -67.340 tors. eta vs tors. theta energy: -133.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1503.573368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.573368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.573368 (E_RNA) where: Base-Base interactions energy: -1056.188 where: short stacking energy: -448.699 Base-Backbone interact. energy: -0.347 local terms energy: -447.038425 where: bonds (distance) C4'-P energy: -77.867 bonds (distance) P-C4' energy: -82.668 flat angles C4'-P-C4' energy: -92.620 flat angles P-C4'-P energy: -65.695 tors. eta vs tors. theta energy: -128.188 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: 5, replica: 1 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1416.067704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.067704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.067704 (E_RNA) where: Base-Base interactions energy: -966.107 where: short stacking energy: -446.095 Base-Backbone interact. energy: 0.497 local terms energy: -450.456968 where: bonds (distance) C4'-P energy: -71.260 bonds (distance) P-C4' energy: -89.238 flat angles C4'-P-C4' energy: -104.989 flat angles P-C4'-P energy: -55.700 tors. eta vs tors. theta energy: -129.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1114.870488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.870488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.870488 (E_RNA) where: Base-Base interactions energy: -727.843 where: short stacking energy: -288.939 Base-Backbone interact. energy: -1.991 local terms energy: -385.035844 where: bonds (distance) C4'-P energy: -80.514 bonds (distance) P-C4' energy: -78.396 flat angles C4'-P-C4' energy: -88.730 flat angles P-C4'-P energy: -53.951 tors. eta vs tors. theta energy: -83.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -945.906743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.906743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.906743 (E_RNA) where: Base-Base interactions energy: -590.513 where: short stacking energy: -280.941 Base-Backbone interact. energy: -1.471 local terms energy: -353.922969 where: bonds (distance) C4'-P energy: -69.350 bonds (distance) P-C4' energy: -82.186 flat angles C4'-P-C4' energy: -86.914 flat angles P-C4'-P energy: -40.327 tors. eta vs tors. theta energy: -75.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -769.833333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.833333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.833333 (E_RNA) where: Base-Base interactions energy: -454.374 where: short stacking energy: -217.471 Base-Backbone interact. energy: 0.785 local terms energy: -316.244954 where: bonds (distance) C4'-P energy: -78.989 bonds (distance) P-C4' energy: -78.524 flat angles C4'-P-C4' energy: -82.269 flat angles P-C4'-P energy: -51.034 tors. eta vs tors. theta energy: -25.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -546.070498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.070498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.070498 (E_RNA) where: Base-Base interactions energy: -275.787 where: short stacking energy: -128.932 Base-Backbone interact. energy: -1.323 local terms energy: -268.960576 where: bonds (distance) C4'-P energy: -77.372 bonds (distance) P-C4' energy: -82.270 flat angles C4'-P-C4' energy: -47.031 flat angles P-C4'-P energy: -63.284 tors. eta vs tors. theta energy: 0.997 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: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -520.803027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.803027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.803027 (E_RNA) where: Base-Base interactions energy: -253.479 where: short stacking energy: -130.608 Base-Backbone interact. energy: 0.377 local terms energy: -267.701119 where: bonds (distance) C4'-P energy: -67.168 bonds (distance) P-C4' energy: -86.158 flat angles C4'-P-C4' energy: -67.023 flat angles P-C4'-P energy: -54.130 tors. eta vs tors. theta energy: 6.779 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: 2 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1612.383964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.383964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.383964 (E_RNA) where: Base-Base interactions energy: -1118.175 where: short stacking energy: -450.178 Base-Backbone interact. energy: 5.489 local terms energy: -499.698119 where: bonds (distance) C4'-P energy: -93.668 bonds (distance) P-C4' energy: -99.402 flat angles C4'-P-C4' energy: -103.903 flat angles P-C4'-P energy: -63.792 tors. eta vs tors. theta energy: -138.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1559.379830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.379830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.379830 (E_RNA) where: Base-Base interactions energy: -1083.210 where: short stacking energy: -465.886 Base-Backbone interact. energy: -2.183 local terms energy: -473.986114 where: bonds (distance) C4'-P energy: -75.987 bonds (distance) P-C4' energy: -86.226 flat angles C4'-P-C4' energy: -108.057 flat angles P-C4'-P energy: -62.331 tors. eta vs tors. theta energy: -141.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1509.951740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.951740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.951740 (E_RNA) where: Base-Base interactions energy: -1050.955 where: short stacking energy: -452.523 Base-Backbone interact. energy: -0.129 local terms energy: -458.867862 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -89.700 flat angles C4'-P-C4' energy: -93.997 flat angles P-C4'-P energy: -68.504 tors. eta vs tors. theta energy: -134.457 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: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1390.717025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.717025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.717025 (E_RNA) where: Base-Base interactions energy: -954.413 where: short stacking energy: -384.246 Base-Backbone interact. energy: -1.485 local terms energy: -434.819493 where: bonds (distance) C4'-P energy: -79.182 bonds (distance) P-C4' energy: -96.870 flat angles C4'-P-C4' energy: -90.821 flat angles P-C4'-P energy: -53.776 tors. eta vs tors. theta energy: -114.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1427.620555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.620555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.620555 (E_RNA) where: Base-Base interactions energy: -981.048 where: short stacking energy: -400.622 Base-Backbone interact. energy: -0.078 local terms energy: -446.494179 where: bonds (distance) C4'-P energy: -83.646 bonds (distance) P-C4' energy: -85.106 flat angles C4'-P-C4' energy: -93.427 flat angles P-C4'-P energy: -58.653 tors. eta vs tors. theta energy: -125.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1212.835997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.835997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.835997 (E_RNA) where: Base-Base interactions energy: -831.054 where: short stacking energy: -355.157 Base-Backbone interact. energy: -0.903 local terms energy: -380.879490 where: bonds (distance) C4'-P energy: -76.854 bonds (distance) P-C4' energy: -70.999 flat angles C4'-P-C4' energy: -86.286 flat angles P-C4'-P energy: -56.452 tors. eta vs tors. theta energy: -90.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -935.632217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.632217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.632217 (E_RNA) where: Base-Base interactions energy: -575.145 where: short stacking energy: -278.196 Base-Backbone interact. energy: 4.704 local terms energy: -365.191073 where: bonds (distance) C4'-P energy: -77.308 bonds (distance) P-C4' energy: -78.053 flat angles C4'-P-C4' energy: -83.874 flat angles P-C4'-P energy: -65.338 tors. eta vs tors. theta energy: -60.619 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: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -759.364612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.364612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.364612 (E_RNA) where: Base-Base interactions energy: -424.940 where: short stacking energy: -212.092 Base-Backbone interact. energy: -0.860 local terms energy: -333.563904 where: bonds (distance) C4'-P energy: -65.144 bonds (distance) P-C4' energy: -89.595 flat angles C4'-P-C4' energy: -78.250 flat angles P-C4'-P energy: -56.893 tors. eta vs tors. theta energy: -43.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -573.831259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.831259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.831259 (E_RNA) where: Base-Base interactions energy: -315.995 where: short stacking energy: -171.725 Base-Backbone interact. energy: -0.352 local terms energy: -257.484522 where: bonds (distance) C4'-P energy: -62.465 bonds (distance) P-C4' energy: -83.520 flat angles C4'-P-C4' energy: -67.746 flat angles P-C4'-P energy: -36.965 tors. eta vs tors. theta energy: -6.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -511.705917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.705917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.705917 (E_RNA) where: Base-Base interactions energy: -256.068 where: short stacking energy: -145.805 Base-Backbone interact. energy: 2.301 local terms energy: -257.938601 where: bonds (distance) C4'-P energy: -80.697 bonds (distance) P-C4' energy: -62.470 flat angles C4'-P-C4' energy: -68.229 flat angles P-C4'-P energy: -53.085 tors. eta vs tors. theta energy: 6.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1601.963059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.963059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.963059 (E_RNA) where: Base-Base interactions energy: -1116.343 where: short stacking energy: -447.300 Base-Backbone interact. energy: -4.455 local terms energy: -481.165188 where: bonds (distance) C4'-P energy: -95.062 bonds (distance) P-C4' energy: -97.657 flat angles C4'-P-C4' energy: -99.985 flat angles P-C4'-P energy: -63.298 tors. eta vs tors. theta energy: -125.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1567.087226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.087226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.087226 (E_RNA) where: Base-Base interactions energy: -1058.845 where: short stacking energy: -455.414 Base-Backbone interact. energy: -0.068 local terms energy: -508.174717 where: bonds (distance) C4'-P energy: -89.753 bonds (distance) P-C4' energy: -93.088 flat angles C4'-P-C4' energy: -98.294 flat angles P-C4'-P energy: -77.100 tors. eta vs tors. theta energy: -149.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1516.276431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.276431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.276431 (E_RNA) where: Base-Base interactions energy: -1044.001 where: short stacking energy: -438.852 Base-Backbone interact. energy: 0.103 local terms energy: -472.378338 where: bonds (distance) C4'-P energy: -92.517 bonds (distance) P-C4' energy: -85.346 flat angles C4'-P-C4' energy: -97.850 flat angles P-C4'-P energy: -68.762 tors. eta vs tors. theta energy: -127.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1434.171960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.171960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.171960 (E_RNA) where: Base-Base interactions energy: -958.299 where: short stacking energy: -422.131 Base-Backbone interact. energy: -1.048 local terms energy: -474.825310 where: bonds (distance) C4'-P energy: -88.680 bonds (distance) P-C4' energy: -89.062 flat angles C4'-P-C4' energy: -100.076 flat angles P-C4'-P energy: -62.219 tors. eta vs tors. theta energy: -134.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1329.779168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.779168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.779168 (E_RNA) where: Base-Base interactions energy: -921.041 where: short stacking energy: -358.623 Base-Backbone interact. energy: -1.840 local terms energy: -406.898167 where: bonds (distance) C4'-P energy: -70.416 bonds (distance) P-C4' energy: -84.341 flat angles C4'-P-C4' energy: -94.505 flat angles P-C4'-P energy: -58.169 tors. eta vs tors. theta energy: -99.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1214.061151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.061151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.061151 (E_RNA) where: Base-Base interactions energy: -803.970 where: short stacking energy: -350.170 Base-Backbone interact. energy: -2.225 local terms energy: -407.866845 where: bonds (distance) C4'-P energy: -72.512 bonds (distance) P-C4' energy: -100.051 flat angles C4'-P-C4' energy: -74.738 flat angles P-C4'-P energy: -55.483 tors. eta vs tors. theta energy: -105.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -966.612182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.612182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.612182 (E_RNA) where: Base-Base interactions energy: -602.295 where: short stacking energy: -289.263 Base-Backbone interact. energy: -0.251 local terms energy: -364.066867 where: bonds (distance) C4'-P energy: -84.232 bonds (distance) P-C4' energy: -81.536 flat angles C4'-P-C4' energy: -78.786 flat angles P-C4'-P energy: -56.870 tors. eta vs tors. theta energy: -62.643 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: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -696.631228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.631228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.631228 (E_RNA) where: Base-Base interactions energy: -415.235 where: short stacking energy: -184.800 Base-Backbone interact. energy: -1.913 local terms energy: -279.483232 where: bonds (distance) C4'-P energy: -68.666 bonds (distance) P-C4' energy: -69.909 flat angles C4'-P-C4' energy: -68.008 flat angles P-C4'-P energy: -53.965 tors. eta vs tors. theta energy: -18.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -585.789542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.789542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.789542 (E_RNA) where: Base-Base interactions energy: -322.684 where: short stacking energy: -176.680 Base-Backbone interact. energy: 3.128 local terms energy: -266.233034 where: bonds (distance) C4'-P energy: -61.815 bonds (distance) P-C4' energy: -83.081 flat angles C4'-P-C4' energy: -65.405 flat angles P-C4'-P energy: -43.426 tors. eta vs tors. theta energy: -12.506 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: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -526.507798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.507798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.507798 (E_RNA) where: Base-Base interactions energy: -268.660 where: short stacking energy: -153.618 Base-Backbone interact. energy: 1.455 local terms energy: -259.302748 where: bonds (distance) C4'-P energy: -62.052 bonds (distance) P-C4' energy: -79.655 flat angles C4'-P-C4' energy: -62.133 flat angles P-C4'-P energy: -58.578 tors. eta vs tors. theta energy: 3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1603.066134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.066134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.066134 (E_RNA) where: Base-Base interactions energy: -1125.100 where: short stacking energy: -451.699 Base-Backbone interact. energy: -4.347 local terms energy: -473.618613 where: bonds (distance) C4'-P energy: -74.923 bonds (distance) P-C4' energy: -94.845 flat angles C4'-P-C4' energy: -107.613 flat angles P-C4'-P energy: -70.352 tors. eta vs tors. theta energy: -125.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1566.528341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.528341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.528341 (E_RNA) where: Base-Base interactions energy: -1055.804 where: short stacking energy: -462.910 Base-Backbone interact. energy: -1.587 local terms energy: -509.137336 where: bonds (distance) C4'-P energy: -90.563 bonds (distance) P-C4' energy: -97.141 flat angles C4'-P-C4' energy: -107.281 flat angles P-C4'-P energy: -65.126 tors. eta vs tors. theta energy: -149.026 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: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1527.034180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.034180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.034180 (E_RNA) where: Base-Base interactions energy: -1057.089 where: short stacking energy: -440.490 Base-Backbone interact. energy: -0.993 local terms energy: -468.952425 where: bonds (distance) C4'-P energy: -85.108 bonds (distance) P-C4' energy: -75.692 flat angles C4'-P-C4' energy: -109.618 flat angles P-C4'-P energy: -72.425 tors. eta vs tors. theta energy: -126.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1451.122849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.122849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.122849 (E_RNA) where: Base-Base interactions energy: -977.928 where: short stacking energy: -405.356 Base-Backbone interact. energy: 0.193 local terms energy: -473.387397 where: bonds (distance) C4'-P energy: -91.072 bonds (distance) P-C4' energy: -81.241 flat angles C4'-P-C4' energy: -101.906 flat angles P-C4'-P energy: -64.537 tors. eta vs tors. theta energy: -134.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1320.744470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.744470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.744470 (E_RNA) where: Base-Base interactions energy: -922.073 where: short stacking energy: -394.622 Base-Backbone interact. energy: -2.221 local terms energy: -396.450225 where: bonds (distance) C4'-P energy: -75.317 bonds (distance) P-C4' energy: -65.028 flat angles C4'-P-C4' energy: -88.089 flat angles P-C4'-P energy: -63.946 tors. eta vs tors. theta energy: -104.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1114.579018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.579018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.579018 (E_RNA) where: Base-Base interactions energy: -746.243 where: short stacking energy: -322.568 Base-Backbone interact. energy: -1.046 local terms energy: -367.290104 where: bonds (distance) C4'-P energy: -74.874 bonds (distance) P-C4' energy: -85.369 flat angles C4'-P-C4' energy: -88.249 flat angles P-C4'-P energy: -37.776 tors. eta vs tors. theta energy: -81.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -974.962817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.962817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.962817 (E_RNA) where: Base-Base interactions energy: -611.310 where: short stacking energy: -269.511 Base-Backbone interact. energy: -2.198 local terms energy: -361.454611 where: bonds (distance) C4'-P energy: -70.440 bonds (distance) P-C4' energy: -90.941 flat angles C4'-P-C4' energy: -88.862 flat angles P-C4'-P energy: -44.898 tors. eta vs tors. theta energy: -66.313 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: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -714.584845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.584845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.584845 (E_RNA) where: Base-Base interactions energy: -422.719 where: short stacking energy: -218.715 Base-Backbone interact. energy: 4.501 local terms energy: -296.366412 where: bonds (distance) C4'-P energy: -70.328 bonds (distance) P-C4' energy: -86.249 flat angles C4'-P-C4' energy: -75.951 flat angles P-C4'-P energy: -33.066 tors. eta vs tors. theta energy: -30.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -539.863652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.863652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.863652 (E_RNA) where: Base-Base interactions energy: -268.521 where: short stacking energy: -156.513 Base-Backbone interact. energy: -1.492 local terms energy: -269.849806 where: bonds (distance) C4'-P energy: -82.421 bonds (distance) P-C4' energy: -74.695 flat angles C4'-P-C4' energy: -69.863 flat angles P-C4'-P energy: -45.079 tors. eta vs tors. theta energy: 2.208 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: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -520.142088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.142088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.142088 (E_RNA) where: Base-Base interactions energy: -272.059 where: short stacking energy: -140.486 Base-Backbone interact. energy: -0.570 local terms energy: -247.513372 where: bonds (distance) C4'-P energy: -64.531 bonds (distance) P-C4' energy: -79.077 flat angles C4'-P-C4' energy: -72.920 flat angles P-C4'-P energy: -31.307 tors. eta vs tors. theta energy: 0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1613.615014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.615014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.615014 (E_RNA) where: Base-Base interactions energy: -1122.831 where: short stacking energy: -428.921 Base-Backbone interact. energy: -3.195 local terms energy: -487.589734 where: bonds (distance) C4'-P energy: -86.342 bonds (distance) P-C4' energy: -94.148 flat angles C4'-P-C4' energy: -104.554 flat angles P-C4'-P energy: -75.287 tors. eta vs tors. theta energy: -127.259 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: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1574.173513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.173513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.173513 (E_RNA) where: Base-Base interactions energy: -1080.417 where: short stacking energy: -465.798 Base-Backbone interact. energy: -1.097 local terms energy: -492.659883 where: bonds (distance) C4'-P energy: -86.549 bonds (distance) P-C4' energy: -86.988 flat angles C4'-P-C4' energy: -100.857 flat angles P-C4'-P energy: -73.568 tors. eta vs tors. theta energy: -144.698 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: 8 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1521.428461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.428461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.428461 (E_RNA) where: Base-Base interactions energy: -1061.284 where: short stacking energy: -410.280 Base-Backbone interact. energy: 0.882 local terms energy: -461.026802 where: bonds (distance) C4'-P energy: -93.792 bonds (distance) P-C4' energy: -84.645 flat angles C4'-P-C4' energy: -97.492 flat angles P-C4'-P energy: -62.287 tors. eta vs tors. theta energy: -122.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1437.184318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.184318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.184318 (E_RNA) where: Base-Base interactions energy: -972.876 where: short stacking energy: -426.071 Base-Backbone interact. energy: -2.041 local terms energy: -462.268066 where: bonds (distance) C4'-P energy: -81.768 bonds (distance) P-C4' energy: -87.697 flat angles C4'-P-C4' energy: -96.627 flat angles P-C4'-P energy: -64.550 tors. eta vs tors. theta energy: -131.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1335.602708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.602708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.602708 (E_RNA) where: Base-Base interactions energy: -899.366 where: short stacking energy: -384.279 Base-Backbone interact. energy: 1.711 local terms energy: -437.947584 where: bonds (distance) C4'-P energy: -79.302 bonds (distance) P-C4' energy: -89.448 flat angles C4'-P-C4' energy: -98.659 flat angles P-C4'-P energy: -61.896 tors. eta vs tors. theta energy: -108.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1166.849751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.849751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.849751 (E_RNA) where: Base-Base interactions energy: -790.225 where: short stacking energy: -347.924 Base-Backbone interact. energy: -2.822 local terms energy: -373.802222 where: bonds (distance) C4'-P energy: -68.054 bonds (distance) P-C4' energy: -91.022 flat angles C4'-P-C4' energy: -78.599 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -87.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -949.742871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.742871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.742871 (E_RNA) where: Base-Base interactions energy: -571.664 where: short stacking energy: -272.823 Base-Backbone interact. energy: 2.556 local terms energy: -380.634950 where: bonds (distance) C4'-P energy: -92.029 bonds (distance) P-C4' energy: -87.039 flat angles C4'-P-C4' energy: -82.930 flat angles P-C4'-P energy: -55.826 tors. eta vs tors. theta energy: -62.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -690.068327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.068327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.068327 (E_RNA) where: Base-Base interactions energy: -366.175 where: short stacking energy: -200.173 Base-Backbone interact. energy: 2.147 local terms energy: -326.039980 where: bonds (distance) C4'-P energy: -82.164 bonds (distance) P-C4' energy: -89.241 flat angles C4'-P-C4' energy: -83.951 flat angles P-C4'-P energy: -42.855 tors. eta vs tors. theta energy: -27.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -552.137853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.137853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.137853 (E_RNA) where: Base-Base interactions energy: -288.234 where: short stacking energy: -171.698 Base-Backbone interact. energy: 4.506 local terms energy: -268.409169 where: bonds (distance) C4'-P energy: -71.503 bonds (distance) P-C4' energy: -77.453 flat angles C4'-P-C4' energy: -67.331 flat angles P-C4'-P energy: -40.912 tors. eta vs tors. theta energy: -11.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -542.773890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.773890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.773890 (E_RNA) where: Base-Base interactions energy: -264.957 where: short stacking energy: -145.101 Base-Backbone interact. energy: 2.735 local terms energy: -280.551903 where: bonds (distance) C4'-P energy: -72.923 bonds (distance) P-C4' energy: -89.879 flat angles C4'-P-C4' energy: -66.729 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: -7.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1610.776973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.776973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.776973 (E_RNA) where: Base-Base interactions energy: -1148.254 where: short stacking energy: -455.842 Base-Backbone interact. energy: -4.200 local terms energy: -458.323126 where: bonds (distance) C4'-P energy: -75.945 bonds (distance) P-C4' energy: -75.692 flat angles C4'-P-C4' energy: -103.377 flat angles P-C4'-P energy: -71.048 tors. eta vs tors. theta energy: -132.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1577.249477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.249477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.249477 (E_RNA) where: Base-Base interactions energy: -1074.956 where: short stacking energy: -465.382 Base-Backbone interact. energy: -0.195 local terms energy: -502.098627 where: bonds (distance) C4'-P energy: -88.790 bonds (distance) P-C4' energy: -85.833 flat angles C4'-P-C4' energy: -100.061 flat angles P-C4'-P energy: -73.671 tors. eta vs tors. theta energy: -153.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1490.283832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.283832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.283832 (E_RNA) where: Base-Base interactions energy: -1034.522 where: short stacking energy: -434.228 Base-Backbone interact. energy: -1.132 local terms energy: -454.629542 where: bonds (distance) C4'-P energy: -73.988 bonds (distance) P-C4' energy: -83.077 flat angles C4'-P-C4' energy: -103.548 flat angles P-C4'-P energy: -66.979 tors. eta vs tors. theta energy: -127.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1417.718976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.718976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.718976 (E_RNA) where: Base-Base interactions energy: -962.857 where: short stacking energy: -406.431 Base-Backbone interact. energy: -0.756 local terms energy: -454.106191 where: bonds (distance) C4'-P energy: -79.970 bonds (distance) P-C4' energy: -84.764 flat angles C4'-P-C4' energy: -99.404 flat angles P-C4'-P energy: -64.023 tors. eta vs tors. theta energy: -125.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1346.195755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.195755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.195755 (E_RNA) where: Base-Base interactions energy: -929.737 where: short stacking energy: -371.065 Base-Backbone interact. energy: -1.893 local terms energy: -414.565424 where: bonds (distance) C4'-P energy: -78.667 bonds (distance) P-C4' energy: -73.486 flat angles C4'-P-C4' energy: -101.926 flat angles P-C4'-P energy: -40.929 tors. eta vs tors. theta energy: -119.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1126.773309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.773309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.773309 (E_RNA) where: Base-Base interactions energy: -755.051 where: short stacking energy: -324.847 Base-Backbone interact. energy: -1.299 local terms energy: -370.422929 where: bonds (distance) C4'-P energy: -71.968 bonds (distance) P-C4' energy: -76.615 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -65.862 tors. eta vs tors. theta energy: -79.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -961.414898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.414898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.414898 (E_RNA) where: Base-Base interactions energy: -577.478 where: short stacking energy: -254.624 Base-Backbone interact. energy: -0.031 local terms energy: -383.905581 where: bonds (distance) C4'-P energy: -95.975 bonds (distance) P-C4' energy: -90.793 flat angles C4'-P-C4' energy: -91.051 flat angles P-C4'-P energy: -43.853 tors. eta vs tors. theta energy: -62.234 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: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -686.306810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.306810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.306810 (E_RNA) where: Base-Base interactions energy: -391.457 where: short stacking energy: -213.471 Base-Backbone interact. energy: 2.488 local terms energy: -297.337802 where: bonds (distance) C4'-P energy: -85.648 bonds (distance) P-C4' energy: -81.303 flat angles C4'-P-C4' energy: -68.757 flat angles P-C4'-P energy: -26.899 tors. eta vs tors. theta energy: -34.730 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: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -604.380358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.380358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.380358 (E_RNA) where: Base-Base interactions energy: -320.081 where: short stacking energy: -164.962 Base-Backbone interact. energy: 2.328 local terms energy: -286.627482 where: bonds (distance) C4'-P energy: -72.384 bonds (distance) P-C4' energy: -95.639 flat angles C4'-P-C4' energy: -75.102 flat angles P-C4'-P energy: -38.168 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -514.401871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.401871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.401871 (E_RNA) where: Base-Base interactions energy: -279.625 where: short stacking energy: -156.897 Base-Backbone interact. energy: -2.772 local terms energy: -232.004457 where: bonds (distance) C4'-P energy: -76.890 bonds (distance) P-C4' energy: -66.665 flat angles C4'-P-C4' energy: -58.864 flat angles P-C4'-P energy: -27.655 tors. eta vs tors. theta energy: -1.931 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: 2 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1652.014079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.014079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.014079 (E_RNA) where: Base-Base interactions energy: -1167.637 where: short stacking energy: -462.995 Base-Backbone interact. energy: -2.007 local terms energy: -482.370023 where: bonds (distance) C4'-P energy: -93.657 bonds (distance) P-C4' energy: -83.608 flat angles C4'-P-C4' energy: -96.094 flat angles P-C4'-P energy: -72.069 tors. eta vs tors. theta energy: -136.942 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: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1583.957412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.957412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.957412 (E_RNA) where: Base-Base interactions energy: -1076.576 where: short stacking energy: -476.033 Base-Backbone interact. energy: -1.101 local terms energy: -506.280764 where: bonds (distance) C4'-P energy: -76.955 bonds (distance) P-C4' energy: -95.607 flat angles C4'-P-C4' energy: -106.759 flat angles P-C4'-P energy: -73.232 tors. eta vs tors. theta energy: -153.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1470.263082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.263082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.263082 (E_RNA) where: Base-Base interactions energy: -995.033 where: short stacking energy: -413.815 Base-Backbone interact. energy: 1.589 local terms energy: -476.818848 where: bonds (distance) C4'-P energy: -88.378 bonds (distance) P-C4' energy: -96.107 flat angles C4'-P-C4' energy: -98.646 flat angles P-C4'-P energy: -70.798 tors. eta vs tors. theta energy: -122.890 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: 387 Temperature: 1.050000 Total energy: -1459.426432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.426432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.426432 (E_RNA) where: Base-Base interactions energy: -993.948 where: short stacking energy: -437.671 Base-Backbone interact. energy: -1.235 local terms energy: -464.243749 where: bonds (distance) C4'-P energy: -96.070 bonds (distance) P-C4' energy: -83.895 flat angles C4'-P-C4' energy: -89.531 flat angles P-C4'-P energy: -58.694 tors. eta vs tors. theta energy: -136.053 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: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1335.331126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.331126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.331126 (E_RNA) where: Base-Base interactions energy: -937.046 where: short stacking energy: -374.809 Base-Backbone interact. energy: -1.347 local terms energy: -396.937956 where: bonds (distance) C4'-P energy: -75.664 bonds (distance) P-C4' energy: -86.760 flat angles C4'-P-C4' energy: -84.280 flat angles P-C4'-P energy: -48.398 tors. eta vs tors. theta energy: -101.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1162.465437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.465437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.465437 (E_RNA) where: Base-Base interactions energy: -795.809 where: short stacking energy: -343.079 Base-Backbone interact. energy: 0.146 local terms energy: -366.802881 where: bonds (distance) C4'-P energy: -91.475 bonds (distance) P-C4' energy: -76.041 flat angles C4'-P-C4' energy: -70.051 flat angles P-C4'-P energy: -50.834 tors. eta vs tors. theta energy: -78.401 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: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -934.244592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.244592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.244592 (E_RNA) where: Base-Base interactions energy: -581.864 where: short stacking energy: -276.262 Base-Backbone interact. energy: -2.286 local terms energy: -350.094704 where: bonds (distance) C4'-P energy: -78.267 bonds (distance) P-C4' energy: -82.407 flat angles C4'-P-C4' energy: -88.531 flat angles P-C4'-P energy: -41.693 tors. eta vs tors. theta energy: -59.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -686.867328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.867328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.867328 (E_RNA) where: Base-Base interactions energy: -389.228 where: short stacking energy: -218.610 Base-Backbone interact. energy: -1.863 local terms energy: -295.776254 where: bonds (distance) C4'-P energy: -77.616 bonds (distance) P-C4' energy: -62.935 flat angles C4'-P-C4' energy: -75.549 flat angles P-C4'-P energy: -45.897 tors. eta vs tors. theta energy: -33.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -564.595533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.595533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.595533 (E_RNA) where: Base-Base interactions energy: -282.918 where: short stacking energy: -138.987 Base-Backbone interact. energy: -0.451 local terms energy: -281.226288 where: bonds (distance) C4'-P energy: -78.274 bonds (distance) P-C4' energy: -86.289 flat angles C4'-P-C4' energy: -63.947 flat angles P-C4'-P energy: -37.884 tors. eta vs tors. theta energy: -14.832 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: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -534.943478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.943478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.943478 (E_RNA) where: Base-Base interactions energy: -299.875 where: short stacking energy: -157.475 Base-Backbone interact. energy: 9.750 local terms energy: -244.817833 where: bonds (distance) C4'-P energy: -72.907 bonds (distance) P-C4' energy: -81.032 flat angles C4'-P-C4' energy: -69.249 flat angles P-C4'-P energy: -30.853 tors. eta vs tors. theta energy: 9.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1634.947548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.947548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.947548 (E_RNA) where: Base-Base interactions energy: -1140.031 where: short stacking energy: -432.908 Base-Backbone interact. energy: -0.908 local terms energy: -494.009285 where: bonds (distance) C4'-P energy: -95.558 bonds (distance) P-C4' energy: -86.967 flat angles C4'-P-C4' energy: -108.746 flat angles P-C4'-P energy: -69.236 tors. eta vs tors. theta energy: -133.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1565.937120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.937120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.937120 (E_RNA) where: Base-Base interactions energy: -1082.333 where: short stacking energy: -474.451 Base-Backbone interact. energy: -2.471 local terms energy: -481.132589 where: bonds (distance) C4'-P energy: -87.603 bonds (distance) P-C4' energy: -90.288 flat angles C4'-P-C4' energy: -91.332 flat angles P-C4'-P energy: -63.867 tors. eta vs tors. theta energy: -148.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1490.971719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.971719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.971719 (E_RNA) where: Base-Base interactions energy: -1018.651 where: short stacking energy: -436.779 Base-Backbone interact. energy: -1.592 local terms energy: -470.729228 where: bonds (distance) C4'-P energy: -86.154 bonds (distance) P-C4' energy: -82.649 flat angles C4'-P-C4' energy: -105.162 flat angles P-C4'-P energy: -68.042 tors. eta vs tors. theta energy: -128.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1441.400250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.400250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.400250 (E_RNA) where: Base-Base interactions energy: -977.677 where: short stacking energy: -421.546 Base-Backbone interact. energy: -1.514 local terms energy: -462.208946 where: bonds (distance) C4'-P energy: -72.696 bonds (distance) P-C4' energy: -94.871 flat angles C4'-P-C4' energy: -95.735 flat angles P-C4'-P energy: -70.233 tors. eta vs tors. theta energy: -128.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1340.291937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.291937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.291937 (E_RNA) where: Base-Base interactions energy: -921.724 where: short stacking energy: -380.095 Base-Backbone interact. energy: -0.588 local terms energy: -417.980716 where: bonds (distance) C4'-P energy: -69.341 bonds (distance) P-C4' energy: -79.923 flat angles C4'-P-C4' energy: -93.553 flat angles P-C4'-P energy: -61.437 tors. eta vs tors. theta energy: -113.727 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: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1191.324931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.324931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.324931 (E_RNA) where: Base-Base interactions energy: -824.571 where: short stacking energy: -336.159 Base-Backbone interact. energy: -2.148 local terms energy: -364.606002 where: bonds (distance) C4'-P energy: -69.006 bonds (distance) P-C4' energy: -71.863 flat angles C4'-P-C4' energy: -83.393 flat angles P-C4'-P energy: -60.576 tors. eta vs tors. theta energy: -79.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -950.570765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.570765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.570765 (E_RNA) where: Base-Base interactions energy: -596.210 where: short stacking energy: -281.631 Base-Backbone interact. energy: 3.518 local terms energy: -357.878502 where: bonds (distance) C4'-P energy: -89.810 bonds (distance) P-C4' energy: -73.765 flat angles C4'-P-C4' energy: -80.952 flat angles P-C4'-P energy: -45.934 tors. eta vs tors. theta energy: -67.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -706.256937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.256937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.256937 (E_RNA) where: Base-Base interactions energy: -402.071 where: short stacking energy: -212.246 Base-Backbone interact. energy: -0.901 local terms energy: -303.284831 where: bonds (distance) C4'-P energy: -75.534 bonds (distance) P-C4' energy: -86.047 flat angles C4'-P-C4' energy: -71.093 flat angles P-C4'-P energy: -40.210 tors. eta vs tors. theta energy: -30.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -574.925666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.925666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.925666 (E_RNA) where: Base-Base interactions energy: -311.133 where: short stacking energy: -168.347 Base-Backbone interact. energy: -1.005 local terms energy: -262.788080 where: bonds (distance) C4'-P energy: -66.913 bonds (distance) P-C4' energy: -80.289 flat angles C4'-P-C4' energy: -77.130 flat angles P-C4'-P energy: -41.788 tors. eta vs tors. theta energy: 3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -492.264787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.264787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.264787 (E_RNA) where: Base-Base interactions energy: -243.880 where: short stacking energy: -116.959 Base-Backbone interact. energy: -1.902 local terms energy: -246.482981 where: bonds (distance) C4'-P energy: -72.346 bonds (distance) P-C4' energy: -85.765 flat angles C4'-P-C4' energy: -53.643 flat angles P-C4'-P energy: -38.328 tors. eta vs tors. theta energy: 3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1619.575128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.575128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.575128 (E_RNA) where: Base-Base interactions energy: -1139.074 where: short stacking energy: -434.504 Base-Backbone interact. energy: 1.207 local terms energy: -481.708283 where: bonds (distance) C4'-P energy: -97.419 bonds (distance) P-C4' energy: -82.754 flat angles C4'-P-C4' energy: -103.871 flat angles P-C4'-P energy: -66.743 tors. eta vs tors. theta energy: -130.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1516.873389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.873389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.873389 (E_RNA) where: Base-Base interactions energy: -1039.302 where: short stacking energy: -421.988 Base-Backbone interact. energy: -1.606 local terms energy: -475.965406 where: bonds (distance) C4'-P energy: -84.429 bonds (distance) P-C4' energy: -87.644 flat angles C4'-P-C4' energy: -105.244 flat angles P-C4'-P energy: -69.917 tors. eta vs tors. theta energy: -128.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1527.634055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.634055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.634055 (E_RNA) where: Base-Base interactions energy: -1033.387 where: short stacking energy: -435.446 Base-Backbone interact. energy: -2.406 local terms energy: -491.841778 where: bonds (distance) C4'-P energy: -97.969 bonds (distance) P-C4' energy: -75.724 flat angles C4'-P-C4' energy: -112.926 flat angles P-C4'-P energy: -67.110 tors. eta vs tors. theta energy: -138.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1368.248832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.248832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.248832 (E_RNA) where: Base-Base interactions energy: -930.225 where: short stacking energy: -392.092 Base-Backbone interact. energy: -2.679 local terms energy: -435.344189 where: bonds (distance) C4'-P energy: -86.355 bonds (distance) P-C4' energy: -86.149 flat angles C4'-P-C4' energy: -99.120 flat angles P-C4'-P energy: -64.250 tors. eta vs tors. theta energy: -99.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1395.400599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.400599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.400599 (E_RNA) where: Base-Base interactions energy: -960.433 where: short stacking energy: -413.580 Base-Backbone interact. energy: 0.929 local terms energy: -435.896689 where: bonds (distance) C4'-P energy: -76.149 bonds (distance) P-C4' energy: -91.445 flat angles C4'-P-C4' energy: -89.958 flat angles P-C4'-P energy: -58.894 tors. eta vs tors. theta energy: -119.451 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: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1221.972086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.972086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.972086 (E_RNA) where: Base-Base interactions energy: -836.243 where: short stacking energy: -357.514 Base-Backbone interact. energy: -2.435 local terms energy: -383.293871 where: bonds (distance) C4'-P energy: -76.498 bonds (distance) P-C4' energy: -68.620 flat angles C4'-P-C4' energy: -83.557 flat angles P-C4'-P energy: -53.101 tors. eta vs tors. theta energy: -101.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -940.031578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.031578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.031578 (E_RNA) where: Base-Base interactions energy: -592.129 where: short stacking energy: -261.329 Base-Backbone interact. energy: 0.555 local terms energy: -348.456766 where: bonds (distance) C4'-P energy: -67.278 bonds (distance) P-C4' energy: -92.602 flat angles C4'-P-C4' energy: -72.086 flat angles P-C4'-P energy: -65.865 tors. eta vs tors. theta energy: -50.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -595.908941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.908941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.908941 (E_RNA) where: Base-Base interactions energy: -300.325 where: short stacking energy: -183.120 Base-Backbone interact. energy: -0.795 local terms energy: -294.789076 where: bonds (distance) C4'-P energy: -67.572 bonds (distance) P-C4' energy: -81.092 flat angles C4'-P-C4' energy: -85.702 flat angles P-C4'-P energy: -45.721 tors. eta vs tors. theta energy: -14.703 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: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -693.486525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.486525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.486525 (E_RNA) where: Base-Base interactions energy: -413.405 where: short stacking energy: -217.328 Base-Backbone interact. energy: 0.110 local terms energy: -280.191326 where: bonds (distance) C4'-P energy: -74.654 bonds (distance) P-C4' energy: -78.672 flat angles C4'-P-C4' energy: -73.544 flat angles P-C4'-P energy: -32.505 tors. eta vs tors. theta energy: -20.817 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: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -522.009757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.009757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.009757 (E_RNA) where: Base-Base interactions energy: -279.615 where: short stacking energy: -144.558 Base-Backbone interact. energy: -2.098 local terms energy: -240.296419 where: bonds (distance) C4'-P energy: -70.399 bonds (distance) P-C4' energy: -71.796 flat angles C4'-P-C4' energy: -64.432 flat angles P-C4'-P energy: -31.505 tors. eta vs tors. theta energy: -2.165 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: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1627.569682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.569682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.569682 (E_RNA) where: Base-Base interactions energy: -1153.468 where: short stacking energy: -458.312 Base-Backbone interact. energy: -2.200 local terms energy: -471.901560 where: bonds (distance) C4'-P energy: -87.933 bonds (distance) P-C4' energy: -88.643 flat angles C4'-P-C4' energy: -96.160 flat angles P-C4'-P energy: -61.413 tors. eta vs tors. theta energy: -137.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1527.006772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.006772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.006772 (E_RNA) where: Base-Base interactions energy: -1057.432 where: short stacking energy: -422.184 Base-Backbone interact. energy: -2.297 local terms energy: -467.277573 where: bonds (distance) C4'-P energy: -83.103 bonds (distance) P-C4' energy: -85.174 flat angles C4'-P-C4' energy: -98.387 flat angles P-C4'-P energy: -75.806 tors. eta vs tors. theta energy: -124.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1524.372623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.372623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.372623 (E_RNA) where: Base-Base interactions energy: -1043.083 where: short stacking energy: -446.425 Base-Backbone interact. energy: -2.316 local terms energy: -478.973845 where: bonds (distance) C4'-P energy: -82.614 bonds (distance) P-C4' energy: -88.710 flat angles C4'-P-C4' energy: -112.106 flat angles P-C4'-P energy: -56.903 tors. eta vs tors. theta energy: -138.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1384.952105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.952105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.952105 (E_RNA) where: Base-Base interactions energy: -968.480 where: short stacking energy: -373.470 Base-Backbone interact. energy: -0.516 local terms energy: -415.955711 where: bonds (distance) C4'-P energy: -81.460 bonds (distance) P-C4' energy: -69.291 flat angles C4'-P-C4' energy: -89.642 flat angles P-C4'-P energy: -64.258 tors. eta vs tors. theta energy: -111.304 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: 1 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1424.960877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.960877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.960877 (E_RNA) where: Base-Base interactions energy: -978.661 where: short stacking energy: -414.566 Base-Backbone interact. energy: -0.488 local terms energy: -445.812457 where: bonds (distance) C4'-P energy: -86.696 bonds (distance) P-C4' energy: -86.184 flat angles C4'-P-C4' energy: -84.839 flat angles P-C4'-P energy: -59.799 tors. eta vs tors. theta energy: -128.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1230.985566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.985566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.985566 (E_RNA) where: Base-Base interactions energy: -824.551 where: short stacking energy: -345.188 Base-Backbone interact. energy: -4.165 local terms energy: -402.269262 where: bonds (distance) C4'-P energy: -76.754 bonds (distance) P-C4' energy: -83.812 flat angles C4'-P-C4' energy: -83.240 flat angles P-C4'-P energy: -55.235 tors. eta vs tors. theta energy: -103.228 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: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -951.826679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.826679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.826679 (E_RNA) where: Base-Base interactions energy: -603.503 where: short stacking energy: -278.713 Base-Backbone interact. energy: -0.927 local terms energy: -347.396779 where: bonds (distance) C4'-P energy: -82.353 bonds (distance) P-C4' energy: -91.808 flat angles C4'-P-C4' energy: -75.230 flat angles P-C4'-P energy: -31.696 tors. eta vs tors. theta energy: -66.310 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: 8, replica: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -596.990915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.990915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.990915 (E_RNA) where: Base-Base interactions energy: -321.927 where: short stacking energy: -165.336 Base-Backbone interact. energy: -3.212 local terms energy: -271.852010 where: bonds (distance) C4'-P energy: -69.221 bonds (distance) P-C4' energy: -91.366 flat angles C4'-P-C4' energy: -74.469 flat angles P-C4'-P energy: -33.805 tors. eta vs tors. theta energy: -2.992 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: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -642.443203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.443203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.443203 (E_RNA) where: Base-Base interactions energy: -363.469 where: short stacking energy: -183.398 Base-Backbone interact. energy: -2.391 local terms energy: -276.583176 where: bonds (distance) C4'-P energy: -80.144 bonds (distance) P-C4' energy: -82.153 flat angles C4'-P-C4' energy: -70.303 flat angles P-C4'-P energy: -29.224 tors. eta vs tors. theta energy: -14.759 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: 390 Temperature: 1.350000 Total energy: -510.119408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.119408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.119408 (E_RNA) where: Base-Base interactions energy: -247.488 where: short stacking energy: -135.680 Base-Backbone interact. energy: 0.526 local terms energy: -263.157231 where: bonds (distance) C4'-P energy: -62.730 bonds (distance) P-C4' energy: -73.828 flat angles C4'-P-C4' energy: -82.487 flat angles P-C4'-P energy: -37.640 tors. eta vs tors. theta energy: -6.472 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: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1633.416147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.416147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.416147 (E_RNA) where: Base-Base interactions energy: -1138.608 where: short stacking energy: -456.516 Base-Backbone interact. energy: -2.815 local terms energy: -491.993255 where: bonds (distance) C4'-P energy: -84.720 bonds (distance) P-C4' energy: -100.069 flat angles C4'-P-C4' energy: -105.360 flat angles P-C4'-P energy: -59.503 tors. eta vs tors. theta energy: -142.341 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: 2, replica: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1543.635282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.635282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.635282 (E_RNA) where: Base-Base interactions energy: -1041.025 where: short stacking energy: -459.854 Base-Backbone interact. energy: -3.143 local terms energy: -499.466979 where: bonds (distance) C4'-P energy: -76.905 bonds (distance) P-C4' energy: -89.198 flat angles C4'-P-C4' energy: -107.538 flat angles P-C4'-P energy: -76.893 tors. eta vs tors. theta energy: -148.932 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: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1501.892950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.892950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.892950 (E_RNA) where: Base-Base interactions energy: -1055.396 where: short stacking energy: -431.369 Base-Backbone interact. energy: 3.033 local terms energy: -449.530306 where: bonds (distance) C4'-P energy: -80.812 bonds (distance) P-C4' energy: -82.295 flat angles C4'-P-C4' energy: -94.716 flat angles P-C4'-P energy: -67.770 tors. eta vs tors. theta energy: -123.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1491.867674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.867674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.867674 (E_RNA) where: Base-Base interactions energy: -1004.863 where: short stacking energy: -431.153 Base-Backbone interact. energy: -1.725 local terms energy: -485.279476 where: bonds (distance) C4'-P energy: -96.695 bonds (distance) P-C4' energy: -87.607 flat angles C4'-P-C4' energy: -94.918 flat angles P-C4'-P energy: -69.786 tors. eta vs tors. theta energy: -136.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1335.888425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.888425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.888425 (E_RNA) where: Base-Base interactions energy: -913.344 where: short stacking energy: -353.742 Base-Backbone interact. energy: -2.315 local terms energy: -420.229340 where: bonds (distance) C4'-P energy: -78.574 bonds (distance) P-C4' energy: -85.895 flat angles C4'-P-C4' energy: -90.401 flat angles P-C4'-P energy: -62.290 tors. eta vs tors. theta energy: -103.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1228.337394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.337394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.337394 (E_RNA) where: Base-Base interactions energy: -828.697 where: short stacking energy: -357.945 Base-Backbone interact. energy: 3.498 local terms energy: -403.138439 where: bonds (distance) C4'-P energy: -72.158 bonds (distance) P-C4' energy: -87.668 flat angles C4'-P-C4' energy: -83.358 flat angles P-C4'-P energy: -54.676 tors. eta vs tors. theta energy: -105.278 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: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -985.009212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.009212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.009212 (E_RNA) where: Base-Base interactions energy: -617.640 where: short stacking energy: -300.096 Base-Backbone interact. energy: -1.914 local terms energy: -365.454659 where: bonds (distance) C4'-P energy: -75.712 bonds (distance) P-C4' energy: -85.207 flat angles C4'-P-C4' energy: -84.849 flat angles P-C4'-P energy: -53.762 tors. eta vs tors. theta energy: -65.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -683.925364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.925364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.925364 (E_RNA) where: Base-Base interactions energy: -389.396 where: short stacking energy: -192.192 Base-Backbone interact. energy: 2.753 local terms energy: -297.281921 where: bonds (distance) C4'-P energy: -70.748 bonds (distance) P-C4' energy: -94.038 flat angles C4'-P-C4' energy: -85.600 flat angles P-C4'-P energy: -42.442 tors. eta vs tors. theta energy: -4.454 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: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -565.491682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.491682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.491682 (E_RNA) where: Base-Base interactions energy: -282.120 where: short stacking energy: -136.100 Base-Backbone interact. energy: -0.966 local terms energy: -282.405431 where: bonds (distance) C4'-P energy: -79.631 bonds (distance) P-C4' energy: -76.171 flat angles C4'-P-C4' energy: -70.258 flat angles P-C4'-P energy: -55.807 tors. eta vs tors. theta energy: -0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -495.050968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.050968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.050968 (E_RNA) where: Base-Base interactions energy: -226.385 where: short stacking energy: -128.203 Base-Backbone interact. energy: 1.397 local terms energy: -270.063459 where: bonds (distance) C4'-P energy: -84.475 bonds (distance) P-C4' energy: -89.886 flat angles C4'-P-C4' energy: -66.451 flat angles P-C4'-P energy: -32.927 tors. eta vs tors. theta energy: 3.675 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: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1622.494189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.494189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.494189 (E_RNA) where: Base-Base interactions energy: -1131.105 where: short stacking energy: -472.073 Base-Backbone interact. energy: 1.950 local terms energy: -493.338978 where: bonds (distance) C4'-P energy: -96.577 bonds (distance) P-C4' energy: -90.808 flat angles C4'-P-C4' energy: -100.949 flat angles P-C4'-P energy: -59.345 tors. eta vs tors. theta energy: -145.660 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: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1555.291572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.291572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.291572 (E_RNA) where: Base-Base interactions energy: -1040.188 where: short stacking energy: -462.663 Base-Backbone interact. energy: -0.871 local terms energy: -514.232718 where: bonds (distance) C4'-P energy: -95.981 bonds (distance) P-C4' energy: -92.398 flat angles C4'-P-C4' energy: -106.251 flat angles P-C4'-P energy: -73.405 tors. eta vs tors. theta energy: -146.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1493.510134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.510134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.510134 (E_RNA) where: Base-Base interactions energy: -1024.489 where: short stacking energy: -430.945 Base-Backbone interact. energy: -2.760 local terms energy: -466.262049 where: bonds (distance) C4'-P energy: -82.289 bonds (distance) P-C4' energy: -97.835 flat angles C4'-P-C4' energy: -100.142 flat angles P-C4'-P energy: -57.930 tors. eta vs tors. theta energy: -128.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1456.001131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.001131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.001131 (E_RNA) where: Base-Base interactions energy: -996.275 where: short stacking energy: -416.544 Base-Backbone interact. energy: 0.290 local terms energy: -460.016127 where: bonds (distance) C4'-P energy: -73.936 bonds (distance) P-C4' energy: -75.790 flat angles C4'-P-C4' energy: -102.579 flat angles P-C4'-P energy: -79.564 tors. eta vs tors. theta energy: -128.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1332.226629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.226629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.226629 (E_RNA) where: Base-Base interactions energy: -910.041 where: short stacking energy: -371.644 Base-Backbone interact. energy: 0.261 local terms energy: -422.446524 where: bonds (distance) C4'-P energy: -83.467 bonds (distance) P-C4' energy: -82.943 flat angles C4'-P-C4' energy: -89.451 flat angles P-C4'-P energy: -57.894 tors. eta vs tors. theta energy: -108.692 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: 6, replica: 3 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1239.793862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.793862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.793862 (E_RNA) where: Base-Base interactions energy: -848.914 where: short stacking energy: -354.540 Base-Backbone interact. energy: 0.730 local terms energy: -391.609394 where: bonds (distance) C4'-P energy: -64.738 bonds (distance) P-C4' energy: -88.284 flat angles C4'-P-C4' energy: -84.303 flat angles P-C4'-P energy: -48.525 tors. eta vs tors. theta energy: -105.760 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: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -964.920692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.920692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.920692 (E_RNA) where: Base-Base interactions energy: -619.717 where: short stacking energy: -279.247 Base-Backbone interact. energy: -1.926 local terms energy: -343.278385 where: bonds (distance) C4'-P energy: -70.014 bonds (distance) P-C4' energy: -74.693 flat angles C4'-P-C4' energy: -82.138 flat angles P-C4'-P energy: -57.376 tors. eta vs tors. theta energy: -59.057 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: 392 Temperature: 1.250000 Total energy: -699.539695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.539695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.539695 (E_RNA) where: Base-Base interactions energy: -407.930 where: short stacking energy: -195.433 Base-Backbone interact. energy: -1.812 local terms energy: -289.797845 where: bonds (distance) C4'-P energy: -60.233 bonds (distance) P-C4' energy: -77.445 flat angles C4'-P-C4' energy: -84.758 flat angles P-C4'-P energy: -44.549 tors. eta vs tors. theta energy: -22.812 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: 10 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -544.427768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.427768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.427768 (E_RNA) where: Base-Base interactions energy: -251.536 where: short stacking energy: -143.476 Base-Backbone interact. energy: -2.604 local terms energy: -290.287873 where: bonds (distance) C4'-P energy: -80.960 bonds (distance) P-C4' energy: -67.711 flat angles C4'-P-C4' energy: -80.844 flat angles P-C4'-P energy: -54.755 tors. eta vs tors. theta energy: -6.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -512.328366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.328366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.328366 (E_RNA) where: Base-Base interactions energy: -249.605 where: short stacking energy: -139.198 Base-Backbone interact. energy: -1.092 local terms energy: -261.631886 where: bonds (distance) C4'-P energy: -60.819 bonds (distance) P-C4' energy: -90.757 flat angles C4'-P-C4' energy: -73.547 flat angles P-C4'-P energy: -41.845 tors. eta vs tors. theta energy: 5.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1622.999623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.999623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.999623 (E_RNA) where: Base-Base interactions energy: -1143.494 where: short stacking energy: -456.476 Base-Backbone interact. energy: -1.588 local terms energy: -477.918205 where: bonds (distance) C4'-P energy: -87.918 bonds (distance) P-C4' energy: -91.015 flat angles C4'-P-C4' energy: -104.532 flat angles P-C4'-P energy: -63.246 tors. eta vs tors. theta energy: -131.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1561.167337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.167337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.167337 (E_RNA) where: Base-Base interactions energy: -1057.208 where: short stacking energy: -460.184 Base-Backbone interact. energy: 0.989 local terms energy: -504.948087 where: bonds (distance) C4'-P energy: -83.306 bonds (distance) P-C4' energy: -100.828 flat angles C4'-P-C4' energy: -108.280 flat angles P-C4'-P energy: -66.569 tors. eta vs tors. theta energy: -145.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1481.653897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.653897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.653897 (E_RNA) where: Base-Base interactions energy: -1012.182 where: short stacking energy: -407.445 Base-Backbone interact. energy: -1.794 local terms energy: -467.677426 where: bonds (distance) C4'-P energy: -79.318 bonds (distance) P-C4' energy: -90.412 flat angles C4'-P-C4' energy: -97.376 flat angles P-C4'-P energy: -70.896 tors. eta vs tors. theta energy: -129.676 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: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1491.424586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.424586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.424586 (E_RNA) where: Base-Base interactions energy: -1011.137 where: short stacking energy: -438.612 Base-Backbone interact. energy: -2.539 local terms energy: -477.748510 where: bonds (distance) C4'-P energy: -89.259 bonds (distance) P-C4' energy: -84.525 flat angles C4'-P-C4' energy: -105.717 flat angles P-C4'-P energy: -67.414 tors. eta vs tors. theta energy: -130.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1351.261116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.261116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.261116 (E_RNA) where: Base-Base interactions energy: -929.450 where: short stacking energy: -376.880 Base-Backbone interact. energy: -1.242 local terms energy: -420.569283 where: bonds (distance) C4'-P energy: -69.159 bonds (distance) P-C4' energy: -87.384 flat angles C4'-P-C4' energy: -86.807 flat angles P-C4'-P energy: -72.888 tors. eta vs tors. theta energy: -104.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1252.978614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.978614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.978614 (E_RNA) where: Base-Base interactions energy: -835.755 where: short stacking energy: -370.206 Base-Backbone interact. energy: -0.769 local terms energy: -416.454681 where: bonds (distance) C4'-P energy: -74.256 bonds (distance) P-C4' energy: -90.640 flat angles C4'-P-C4' energy: -81.905 flat angles P-C4'-P energy: -65.599 tors. eta vs tors. theta energy: -104.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1013.488781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.488781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.488781 (E_RNA) where: Base-Base interactions energy: -647.246 where: short stacking energy: -312.105 Base-Backbone interact. energy: -1.129 local terms energy: -365.114017 where: bonds (distance) C4'-P energy: -82.974 bonds (distance) P-C4' energy: -70.758 flat angles C4'-P-C4' energy: -81.971 flat angles P-C4'-P energy: -47.703 tors. eta vs tors. theta energy: -81.708 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: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -656.427318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.427318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.427318 (E_RNA) where: Base-Base interactions energy: -366.063 where: short stacking energy: -185.276 Base-Backbone interact. energy: 7.250 local terms energy: -297.614206 where: bonds (distance) C4'-P energy: -75.717 bonds (distance) P-C4' energy: -82.932 flat angles C4'-P-C4' energy: -75.099 flat angles P-C4'-P energy: -45.876 tors. eta vs tors. theta energy: -17.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -558.740431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.740431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.740431 (E_RNA) where: Base-Base interactions energy: -280.872 where: short stacking energy: -142.770 Base-Backbone interact. energy: 0.133 local terms energy: -278.001478 where: bonds (distance) C4'-P energy: -68.353 bonds (distance) P-C4' energy: -88.827 flat angles C4'-P-C4' energy: -67.460 flat angles P-C4'-P energy: -45.449 tors. eta vs tors. theta energy: -7.913 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: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -533.700093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.700093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.700093 (E_RNA) where: Base-Base interactions energy: -271.534 where: short stacking energy: -150.648 Base-Backbone interact. energy: -0.377 local terms energy: -261.788988 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -66.716 flat angles C4'-P-C4' energy: -60.346 flat angles P-C4'-P energy: -47.589 tors. eta vs tors. theta energy: -19.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1592.766289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.766289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.766289 (E_RNA) where: Base-Base interactions energy: -1074.366 where: short stacking energy: -447.579 Base-Backbone interact. energy: -1.673 local terms energy: -516.726597 where: bonds (distance) C4'-P energy: -101.109 bonds (distance) P-C4' energy: -97.358 flat angles C4'-P-C4' energy: -105.275 flat angles P-C4'-P energy: -70.697 tors. eta vs tors. theta energy: -142.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1613.993163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.993163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.993163 (E_RNA) where: Base-Base interactions energy: -1130.615 where: short stacking energy: -447.750 Base-Backbone interact. energy: 0.306 local terms energy: -483.684283 where: bonds (distance) C4'-P energy: -80.538 bonds (distance) P-C4' energy: -92.347 flat angles C4'-P-C4' energy: -101.945 flat angles P-C4'-P energy: -70.769 tors. eta vs tors. theta energy: -138.086 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: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1502.300853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.300853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.300853 (E_RNA) where: Base-Base interactions energy: -1046.215 where: short stacking energy: -432.462 Base-Backbone interact. energy: -4.038 local terms energy: -452.048144 where: bonds (distance) C4'-P energy: -82.171 bonds (distance) P-C4' energy: -77.219 flat angles C4'-P-C4' energy: -96.387 flat angles P-C4'-P energy: -73.238 tors. eta vs tors. theta energy: -123.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1467.472871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.472871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.472871 (E_RNA) where: Base-Base interactions energy: -1008.012 where: short stacking energy: -433.984 Base-Backbone interact. energy: -2.919 local terms energy: -456.541557 where: bonds (distance) C4'-P energy: -84.988 bonds (distance) P-C4' energy: -77.205 flat angles C4'-P-C4' energy: -104.582 flat angles P-C4'-P energy: -64.100 tors. eta vs tors. theta energy: -125.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1308.965193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.965193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.965193 (E_RNA) where: Base-Base interactions energy: -915.557 where: short stacking energy: -379.556 Base-Backbone interact. energy: -5.102 local terms energy: -388.306011 where: bonds (distance) C4'-P energy: -70.686 bonds (distance) P-C4' energy: -82.139 flat angles C4'-P-C4' energy: -76.730 flat angles P-C4'-P energy: -46.822 tors. eta vs tors. theta energy: -111.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1209.889900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.889900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.889900 (E_RNA) where: Base-Base interactions energy: -806.121 where: short stacking energy: -339.228 Base-Backbone interact. energy: -1.547 local terms energy: -402.222049 where: bonds (distance) C4'-P energy: -76.959 bonds (distance) P-C4' energy: -83.172 flat angles C4'-P-C4' energy: -77.957 flat angles P-C4'-P energy: -62.058 tors. eta vs tors. theta energy: -102.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -987.670699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.670699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.670699 (E_RNA) where: Base-Base interactions energy: -635.718 where: short stacking energy: -303.260 Base-Backbone interact. energy: 0.762 local terms energy: -352.714583 where: bonds (distance) C4'-P energy: -75.884 bonds (distance) P-C4' energy: -68.185 flat angles C4'-P-C4' energy: -76.762 flat angles P-C4'-P energy: -53.919 tors. eta vs tors. theta energy: -77.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -708.133423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.133423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.133423 (E_RNA) where: Base-Base interactions energy: -422.496 where: short stacking energy: -213.671 Base-Backbone interact. energy: 1.414 local terms energy: -287.050889 where: bonds (distance) C4'-P energy: -61.534 bonds (distance) P-C4' energy: -78.360 flat angles C4'-P-C4' energy: -71.796 flat angles P-C4'-P energy: -42.576 tors. eta vs tors. theta energy: -32.785 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: 9, replica: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -556.375986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.375986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.375986 (E_RNA) where: Base-Base interactions energy: -287.476 where: short stacking energy: -163.230 Base-Backbone interact. energy: 2.731 local terms energy: -271.631799 where: bonds (distance) C4'-P energy: -70.031 bonds (distance) P-C4' energy: -92.575 flat angles C4'-P-C4' energy: -55.411 flat angles P-C4'-P energy: -44.669 tors. eta vs tors. theta energy: -8.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -556.496992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.496992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.496992 (E_RNA) where: Base-Base interactions energy: -284.783 where: short stacking energy: -136.431 Base-Backbone interact. energy: -1.799 local terms energy: -269.914453 where: bonds (distance) C4'-P energy: -85.350 bonds (distance) P-C4' energy: -75.270 flat angles C4'-P-C4' energy: -76.980 flat angles P-C4'-P energy: -30.595 tors. eta vs tors. theta energy: -1.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1580.927068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.927068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.927068 (E_RNA) where: Base-Base interactions energy: -1070.876 where: short stacking energy: -475.491 Base-Backbone interact. energy: -1.935 local terms energy: -508.116183 where: bonds (distance) C4'-P energy: -92.790 bonds (distance) P-C4' energy: -86.834 flat angles C4'-P-C4' energy: -106.721 flat angles P-C4'-P energy: -75.018 tors. eta vs tors. theta energy: -146.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1597.072427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.072427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.072427 (E_RNA) where: Base-Base interactions energy: -1118.912 where: short stacking energy: -455.883 Base-Backbone interact. energy: 2.959 local terms energy: -481.119557 where: bonds (distance) C4'-P energy: -77.886 bonds (distance) P-C4' energy: -99.284 flat angles C4'-P-C4' energy: -99.497 flat angles P-C4'-P energy: -67.003 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: 3, replica: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1502.327598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.327598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.327598 (E_RNA) where: Base-Base interactions energy: -1050.425 where: short stacking energy: -433.557 Base-Backbone interact. energy: -3.896 local terms energy: -448.006211 where: bonds (distance) C4'-P energy: -80.674 bonds (distance) P-C4' energy: -77.641 flat angles C4'-P-C4' energy: -111.245 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: -131.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1473.206148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.206148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.206148 (E_RNA) where: Base-Base interactions energy: -985.275 where: short stacking energy: -434.681 Base-Backbone interact. energy: -2.283 local terms energy: -485.648560 where: bonds (distance) C4'-P energy: -90.771 bonds (distance) P-C4' energy: -86.987 flat angles C4'-P-C4' energy: -104.911 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -138.457 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: 395 Temperature: 1.100000 Total energy: -1347.125611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.125611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.125611 (E_RNA) where: Base-Base interactions energy: -911.578 where: short stacking energy: -386.541 Base-Backbone interact. energy: 0.999 local terms energy: -436.546009 where: bonds (distance) C4'-P energy: -85.165 bonds (distance) P-C4' energy: -84.744 flat angles C4'-P-C4' energy: -97.879 flat angles P-C4'-P energy: -57.586 tors. eta vs tors. theta energy: -111.173 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: 3 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1227.661022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.661022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.661022 (E_RNA) where: Base-Base interactions energy: -811.099 where: short stacking energy: -330.610 Base-Backbone interact. energy: 0.741 local terms energy: -417.303110 where: bonds (distance) C4'-P energy: -92.438 bonds (distance) P-C4' energy: -78.262 flat angles C4'-P-C4' energy: -91.014 flat angles P-C4'-P energy: -58.217 tors. eta vs tors. theta energy: -97.371 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: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -974.688302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.688302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.688302 (E_RNA) where: Base-Base interactions energy: -614.372 where: short stacking energy: -270.826 Base-Backbone interact. energy: 1.057 local terms energy: -361.373152 where: bonds (distance) C4'-P energy: -71.769 bonds (distance) P-C4' energy: -81.900 flat angles C4'-P-C4' energy: -88.176 flat angles P-C4'-P energy: -57.135 tors. eta vs tors. theta energy: -62.392 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: 8, replica: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -678.187455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.187455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.187455 (E_RNA) where: Base-Base interactions energy: -382.453 where: short stacking energy: -202.738 Base-Backbone interact. energy: -1.494 local terms energy: -294.240973 where: bonds (distance) C4'-P energy: -66.512 bonds (distance) P-C4' energy: -70.480 flat angles C4'-P-C4' energy: -70.205 flat angles P-C4'-P energy: -57.984 tors. eta vs tors. theta energy: -29.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -567.605385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.605385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.605385 (E_RNA) where: Base-Base interactions energy: -292.176 where: short stacking energy: -159.033 Base-Backbone interact. energy: 5.714 local terms energy: -281.143158 where: bonds (distance) C4'-P energy: -85.590 bonds (distance) P-C4' energy: -77.341 flat angles C4'-P-C4' energy: -56.492 flat angles P-C4'-P energy: -44.472 tors. eta vs tors. theta energy: -17.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -583.804194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.804194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.804194 (E_RNA) where: Base-Base interactions energy: -334.996 where: short stacking energy: -162.447 Base-Backbone interact. energy: -1.762 local terms energy: -247.046286 where: bonds (distance) C4'-P energy: -64.112 bonds (distance) P-C4' energy: -73.059 flat angles C4'-P-C4' energy: -71.992 flat angles P-C4'-P energy: -38.698 tors. eta vs tors. theta energy: 0.815 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: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1639.951006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.951006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.951006 (E_RNA) where: Base-Base interactions energy: -1138.694 where: short stacking energy: -479.522 Base-Backbone interact. energy: 3.042 local terms energy: -504.298827 where: bonds (distance) C4'-P energy: -96.114 bonds (distance) P-C4' energy: -83.958 flat angles C4'-P-C4' energy: -104.200 flat angles P-C4'-P energy: -78.523 tors. eta vs tors. theta energy: -141.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1555.138869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.138869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.138869 (E_RNA) where: Base-Base interactions energy: -1053.108 where: short stacking energy: -449.886 Base-Backbone interact. energy: 0.220 local terms energy: -502.251527 where: bonds (distance) C4'-P energy: -89.124 bonds (distance) P-C4' energy: -94.813 flat angles C4'-P-C4' energy: -97.941 flat angles P-C4'-P energy: -75.576 tors. eta vs tors. theta energy: -144.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1523.766243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.766243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.766243 (E_RNA) where: Base-Base interactions energy: -1053.174 where: short stacking energy: -427.985 Base-Backbone interact. energy: -1.288 local terms energy: -469.304475 where: bonds (distance) C4'-P energy: -82.087 bonds (distance) P-C4' energy: -92.445 flat angles C4'-P-C4' energy: -99.435 flat angles P-C4'-P energy: -68.140 tors. eta vs tors. theta energy: -127.197 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: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1494.257660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.257660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.257660 (E_RNA) where: Base-Base interactions energy: -1015.736 where: short stacking energy: -466.538 Base-Backbone interact. energy: 0.756 local terms energy: -479.277722 where: bonds (distance) C4'-P energy: -93.926 bonds (distance) P-C4' energy: -79.915 flat angles C4'-P-C4' energy: -97.130 flat angles P-C4'-P energy: -66.662 tors. eta vs tors. theta energy: -141.645 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: 4 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1368.547672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.547672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.547672 (E_RNA) where: Base-Base interactions energy: -926.146 where: short stacking energy: -384.230 Base-Backbone interact. energy: -2.959 local terms energy: -439.443001 where: bonds (distance) C4'-P energy: -87.880 bonds (distance) P-C4' energy: -75.857 flat angles C4'-P-C4' energy: -96.441 flat angles P-C4'-P energy: -61.989 tors. eta vs tors. theta energy: -117.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1214.333204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.333204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.333204 (E_RNA) where: Base-Base interactions energy: -831.188 where: short stacking energy: -351.993 Base-Backbone interact. energy: -1.261 local terms energy: -381.884127 where: bonds (distance) C4'-P energy: -71.032 bonds (distance) P-C4' energy: -82.806 flat angles C4'-P-C4' energy: -83.020 flat angles P-C4'-P energy: -39.369 tors. eta vs tors. theta energy: -105.657 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: 396 Temperature: 1.200000 Total energy: -998.900837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.900837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.900837 (E_RNA) where: Base-Base interactions energy: -638.729 where: short stacking energy: -275.133 Base-Backbone interact. energy: -1.009 local terms energy: -359.162584 where: bonds (distance) C4'-P energy: -66.778 bonds (distance) P-C4' energy: -88.425 flat angles C4'-P-C4' energy: -85.772 flat angles P-C4'-P energy: -48.382 tors. eta vs tors. theta energy: -69.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -713.925631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.925631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.925631 (E_RNA) where: Base-Base interactions energy: -412.166 where: short stacking energy: -210.696 Base-Backbone interact. energy: -0.200 local terms energy: -301.559373 where: bonds (distance) C4'-P energy: -69.347 bonds (distance) P-C4' energy: -76.915 flat angles C4'-P-C4' energy: -82.008 flat angles P-C4'-P energy: -43.003 tors. eta vs tors. theta energy: -30.286 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: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -617.742275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.742275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.742275 (E_RNA) where: Base-Base interactions energy: -307.363 where: short stacking energy: -156.846 Base-Backbone interact. energy: -3.272 local terms energy: -307.107087 where: bonds (distance) C4'-P energy: -70.618 bonds (distance) P-C4' energy: -88.146 flat angles C4'-P-C4' energy: -80.754 flat angles P-C4'-P energy: -44.902 tors. eta vs tors. theta energy: -22.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -521.629438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.629438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.629438 (E_RNA) where: Base-Base interactions energy: -268.107 where: short stacking energy: -143.994 Base-Backbone interact. energy: 0.593 local terms energy: -254.115619 where: bonds (distance) C4'-P energy: -66.401 bonds (distance) P-C4' energy: -76.685 flat angles C4'-P-C4' energy: -73.748 flat angles P-C4'-P energy: -34.818 tors. eta vs tors. theta energy: -2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1649.512585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.512585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.512585 (E_RNA) where: Base-Base interactions energy: -1142.492 where: short stacking energy: -463.004 Base-Backbone interact. energy: -1.266 local terms energy: -505.754306 where: bonds (distance) C4'-P energy: -89.244 bonds (distance) P-C4' energy: -89.195 flat angles C4'-P-C4' energy: -105.613 flat angles P-C4'-P energy: -79.538 tors. eta vs tors. theta energy: -142.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1591.063170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.063170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.063170 (E_RNA) where: Base-Base interactions energy: -1067.631 where: short stacking energy: -463.373 Base-Backbone interact. energy: -0.782 local terms energy: -522.649507 where: bonds (distance) C4'-P energy: -103.233 bonds (distance) P-C4' energy: -101.990 flat angles C4'-P-C4' energy: -106.295 flat angles P-C4'-P energy: -68.481 tors. eta vs tors. theta energy: -142.650 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: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1516.453701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.453701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.453701 (E_RNA) where: Base-Base interactions energy: -1042.887 where: short stacking energy: -432.434 Base-Backbone interact. energy: -1.642 local terms energy: -471.924283 where: bonds (distance) C4'-P energy: -88.319 bonds (distance) P-C4' energy: -88.973 flat angles C4'-P-C4' energy: -101.818 flat angles P-C4'-P energy: -59.478 tors. eta vs tors. theta energy: -133.337 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: 4, replica: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1446.706689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.706689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.706689 (E_RNA) where: Base-Base interactions energy: -979.553 where: short stacking energy: -429.833 Base-Backbone interact. energy: -1.105 local terms energy: -466.048325 where: bonds (distance) C4'-P energy: -88.577 bonds (distance) P-C4' energy: -78.292 flat angles C4'-P-C4' energy: -102.023 flat angles P-C4'-P energy: -63.831 tors. eta vs tors. theta energy: -133.324 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: 5, replica: 4 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1385.824738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.824738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.824738 (E_RNA) where: Base-Base interactions energy: -967.666 where: short stacking energy: -395.036 Base-Backbone interact. energy: -0.797 local terms energy: -417.361840 where: bonds (distance) C4'-P energy: -75.148 bonds (distance) P-C4' energy: -76.171 flat angles C4'-P-C4' energy: -87.599 flat angles P-C4'-P energy: -62.295 tors. eta vs tors. theta energy: -116.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1207.092823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.092823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.092823 (E_RNA) where: Base-Base interactions energy: -807.092 where: short stacking energy: -338.539 Base-Backbone interact. energy: 0.183 local terms energy: -400.183058 where: bonds (distance) C4'-P energy: -82.397 bonds (distance) P-C4' energy: -66.769 flat angles C4'-P-C4' energy: -95.227 flat angles P-C4'-P energy: -69.958 tors. eta vs tors. theta energy: -85.832 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: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1038.740879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.740879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.740879 (E_RNA) where: Base-Base interactions energy: -637.834 where: short stacking energy: -297.858 Base-Backbone interact. energy: 0.175 local terms energy: -401.081968 where: bonds (distance) C4'-P energy: -93.319 bonds (distance) P-C4' energy: -81.011 flat angles C4'-P-C4' energy: -88.687 flat angles P-C4'-P energy: -57.062 tors. eta vs tors. theta energy: -81.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -752.153534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.153534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.153534 (E_RNA) where: Base-Base interactions energy: -415.949 where: short stacking energy: -221.900 Base-Backbone interact. energy: -0.256 local terms energy: -335.948389 where: bonds (distance) C4'-P energy: -70.320 bonds (distance) P-C4' energy: -85.875 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -48.750 tors. eta vs tors. theta energy: -48.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -623.486635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.486635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.486635 (E_RNA) where: Base-Base interactions energy: -324.859 where: short stacking energy: -162.211 Base-Backbone interact. energy: -0.202 local terms energy: -298.425831 where: bonds (distance) C4'-P energy: -80.587 bonds (distance) P-C4' energy: -63.572 flat angles C4'-P-C4' energy: -88.926 flat angles P-C4'-P energy: -49.896 tors. eta vs tors. theta energy: -15.445 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: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -502.750005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.750005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.750005 (E_RNA) where: Base-Base interactions energy: -265.381 where: short stacking energy: -145.150 Base-Backbone interact. energy: 3.402 local terms energy: -240.770689 where: bonds (distance) C4'-P energy: -77.935 bonds (distance) P-C4' energy: -64.346 flat angles C4'-P-C4' energy: -64.410 flat angles P-C4'-P energy: -31.783 tors. eta vs tors. theta energy: -2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1623.574549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.574549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.574549 (E_RNA) where: Base-Base interactions energy: -1127.672 where: short stacking energy: -460.455 Base-Backbone interact. energy: -1.667 local terms energy: -494.236214 where: bonds (distance) C4'-P energy: -95.152 bonds (distance) P-C4' energy: -91.047 flat angles C4'-P-C4' energy: -100.412 flat angles P-C4'-P energy: -69.026 tors. eta vs tors. theta energy: -138.599 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: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1564.325145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.325145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.325145 (E_RNA) where: Base-Base interactions energy: -1058.041 where: short stacking energy: -464.121 Base-Backbone interact. energy: -1.023 local terms energy: -505.261353 where: bonds (distance) C4'-P energy: -81.379 bonds (distance) P-C4' energy: -88.548 flat angles C4'-P-C4' energy: -111.018 flat angles P-C4'-P energy: -67.455 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: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1499.999484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.999484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.999484 (E_RNA) where: Base-Base interactions energy: -1042.959 where: short stacking energy: -414.149 Base-Backbone interact. energy: 0.725 local terms energy: -457.764876 where: bonds (distance) C4'-P energy: -84.711 bonds (distance) P-C4' energy: -86.468 flat angles C4'-P-C4' energy: -99.114 flat angles P-C4'-P energy: -61.898 tors. eta vs tors. theta energy: -125.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1440.671658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.671658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.671658 (E_RNA) where: Base-Base interactions energy: -975.380 where: short stacking energy: -420.673 Base-Backbone interact. energy: -0.683 local terms energy: -464.609029 where: bonds (distance) C4'-P energy: -80.636 bonds (distance) P-C4' energy: -84.974 flat angles C4'-P-C4' energy: -99.834 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -132.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1336.267703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.267703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.267703 (E_RNA) where: Base-Base interactions energy: -911.665 where: short stacking energy: -385.326 Base-Backbone interact. energy: 0.886 local terms energy: -425.488648 where: bonds (distance) C4'-P energy: -82.182 bonds (distance) P-C4' energy: -91.687 flat angles C4'-P-C4' energy: -86.520 flat angles P-C4'-P energy: -48.991 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: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1148.079428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.079428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.079428 (E_RNA) where: Base-Base interactions energy: -737.063 where: short stacking energy: -319.720 Base-Backbone interact. energy: -2.296 local terms energy: -408.720687 where: bonds (distance) C4'-P energy: -94.879 bonds (distance) P-C4' energy: -81.829 flat angles C4'-P-C4' energy: -78.156 flat angles P-C4'-P energy: -56.495 tors. eta vs tors. theta energy: -97.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1002.327691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.327691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.327691 (E_RNA) where: Base-Base interactions energy: -627.197 where: short stacking energy: -290.597 Base-Backbone interact. energy: 0.545 local terms energy: -375.675896 where: bonds (distance) C4'-P energy: -91.044 bonds (distance) P-C4' energy: -74.487 flat angles C4'-P-C4' energy: -89.871 flat angles P-C4'-P energy: -57.496 tors. eta vs tors. theta energy: -62.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -767.776583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.776583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.776583 (E_RNA) where: Base-Base interactions energy: -449.449 where: short stacking energy: -237.401 Base-Backbone interact. energy: 0.978 local terms energy: -319.305689 where: bonds (distance) C4'-P energy: -64.121 bonds (distance) P-C4' energy: -74.970 flat angles C4'-P-C4' energy: -80.059 flat angles P-C4'-P energy: -53.656 tors. eta vs tors. theta energy: -46.500 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: 10 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -623.547625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.547625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.547625 (E_RNA) where: Base-Base interactions energy: -336.942 where: short stacking energy: -162.111 Base-Backbone interact. energy: -0.569 local terms energy: -286.036469 where: bonds (distance) C4'-P energy: -83.716 bonds (distance) P-C4' energy: -77.048 flat angles C4'-P-C4' energy: -67.199 flat angles P-C4'-P energy: -45.571 tors. eta vs tors. theta energy: -12.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -503.131784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.131784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.131784 (E_RNA) where: Base-Base interactions energy: -269.516 where: short stacking energy: -156.692 Base-Backbone interact. energy: 0.513 local terms energy: -234.128414 where: bonds (distance) C4'-P energy: -74.241 bonds (distance) P-C4' energy: -73.226 flat angles C4'-P-C4' energy: -57.913 flat angles P-C4'-P energy: -32.341 tors. eta vs tors. theta energy: 3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1620.905640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.905640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.905640 (E_RNA) where: Base-Base interactions energy: -1125.392 where: short stacking energy: -475.644 Base-Backbone interact. energy: -0.494 local terms energy: -495.019473 where: bonds (distance) C4'-P energy: -87.106 bonds (distance) P-C4' energy: -87.706 flat angles C4'-P-C4' energy: -112.092 flat angles P-C4'-P energy: -66.353 tors. eta vs tors. theta energy: -141.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1594.991111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.991111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.991111 (E_RNA) where: Base-Base interactions energy: -1082.555 where: short stacking energy: -479.255 Base-Backbone interact. energy: -0.853 local terms energy: -511.583189 where: bonds (distance) C4'-P energy: -95.995 bonds (distance) P-C4' energy: -94.962 flat angles C4'-P-C4' energy: -99.341 flat angles P-C4'-P energy: -64.132 tors. eta vs tors. theta energy: -157.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1518.088917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.088917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.088917 (E_RNA) where: Base-Base interactions energy: -1038.420 where: short stacking energy: -415.698 Base-Backbone interact. energy: -3.040 local terms energy: -476.629254 where: bonds (distance) C4'-P energy: -98.312 bonds (distance) P-C4' energy: -86.759 flat angles C4'-P-C4' energy: -97.668 flat angles P-C4'-P energy: -65.471 tors. eta vs tors. theta energy: -128.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1461.112086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.112086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.112086 (E_RNA) where: Base-Base interactions energy: -1001.156 where: short stacking energy: -430.534 Base-Backbone interact. energy: -0.769 local terms energy: -459.187422 where: bonds (distance) C4'-P energy: -89.579 bonds (distance) P-C4' energy: -83.144 flat angles C4'-P-C4' energy: -101.998 flat angles P-C4'-P energy: -59.257 tors. eta vs tors. theta energy: -125.210 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: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1334.025299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.025299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.025299 (E_RNA) where: Base-Base interactions energy: -908.246 where: short stacking energy: -376.214 Base-Backbone interact. energy: -0.762 local terms energy: -425.017341 where: bonds (distance) C4'-P energy: -78.173 bonds (distance) P-C4' energy: -89.349 flat angles C4'-P-C4' energy: -90.115 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: -113.166 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: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1173.648127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.648127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.648127 (E_RNA) where: Base-Base interactions energy: -780.405 where: short stacking energy: -322.725 Base-Backbone interact. energy: 0.806 local terms energy: -394.049468 where: bonds (distance) C4'-P energy: -80.545 bonds (distance) P-C4' energy: -93.233 flat angles C4'-P-C4' energy: -80.794 flat angles P-C4'-P energy: -57.810 tors. eta vs tors. theta energy: -81.667 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: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -955.977267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.977267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.977267 (E_RNA) where: Base-Base interactions energy: -589.113 where: short stacking energy: -291.642 Base-Backbone interact. energy: -0.609 local terms energy: -366.255383 where: bonds (distance) C4'-P energy: -76.562 bonds (distance) P-C4' energy: -81.017 flat angles C4'-P-C4' energy: -85.588 flat angles P-C4'-P energy: -50.484 tors. eta vs tors. theta energy: -72.605 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: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -741.189392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.189392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.189392 (E_RNA) where: Base-Base interactions energy: -438.865 where: short stacking energy: -207.537 Base-Backbone interact. energy: 0.240 local terms energy: -302.563836 where: bonds (distance) C4'-P energy: -68.826 bonds (distance) P-C4' energy: -87.922 flat angles C4'-P-C4' energy: -73.915 flat angles P-C4'-P energy: -46.157 tors. eta vs tors. theta energy: -25.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -603.865738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.865738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.865738 (E_RNA) where: Base-Base interactions energy: -342.141 where: short stacking energy: -166.281 Base-Backbone interact. energy: 3.670 local terms energy: -265.394341 where: bonds (distance) C4'-P energy: -67.974 bonds (distance) P-C4' energy: -80.721 flat angles C4'-P-C4' energy: -64.434 flat angles P-C4'-P energy: -34.024 tors. eta vs tors. theta energy: -18.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -514.320240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.320240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.320240 (E_RNA) where: Base-Base interactions energy: -242.804 where: short stacking energy: -138.229 Base-Backbone interact. energy: -1.155 local terms energy: -270.360919 where: bonds (distance) C4'-P energy: -68.707 bonds (distance) P-C4' energy: -86.705 flat angles C4'-P-C4' energy: -64.966 flat angles P-C4'-P energy: -50.045 tors. eta vs tors. theta energy: 0.062 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: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1623.749099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.749099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.749099 (E_RNA) where: Base-Base interactions energy: -1121.727 where: short stacking energy: -451.529 Base-Backbone interact. energy: -0.234 local terms energy: -501.788298 where: bonds (distance) C4'-P energy: -91.046 bonds (distance) P-C4' energy: -100.722 flat angles C4'-P-C4' energy: -105.489 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: -132.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1588.240511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.240511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.240511 (E_RNA) where: Base-Base interactions energy: -1081.307 where: short stacking energy: -482.088 Base-Backbone interact. energy: -0.576 local terms energy: -506.357682 where: bonds (distance) C4'-P energy: -93.673 bonds (distance) P-C4' energy: -96.858 flat angles C4'-P-C4' energy: -109.665 flat angles P-C4'-P energy: -61.376 tors. eta vs tors. theta energy: -144.786 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: 8 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1511.644260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.644260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.644260 (E_RNA) where: Base-Base interactions energy: -1048.856 where: short stacking energy: -425.949 Base-Backbone interact. energy: -3.058 local terms energy: -459.729888 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -78.737 flat angles C4'-P-C4' energy: -99.541 flat angles P-C4'-P energy: -63.696 tors. eta vs tors. theta energy: -126.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1469.130752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.130752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.130752 (E_RNA) where: Base-Base interactions energy: -994.789 where: short stacking energy: -430.906 Base-Backbone interact. energy: -1.874 local terms energy: -472.468248 where: bonds (distance) C4'-P energy: -93.021 bonds (distance) P-C4' energy: -72.133 flat angles C4'-P-C4' energy: -99.685 flat angles P-C4'-P energy: -73.067 tors. eta vs tors. theta energy: -134.562 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: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1343.325083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.325083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.325083 (E_RNA) where: Base-Base interactions energy: -912.950 where: short stacking energy: -364.076 Base-Backbone interact. energy: -1.411 local terms energy: -428.964105 where: bonds (distance) C4'-P energy: -85.613 bonds (distance) P-C4' energy: -90.004 flat angles C4'-P-C4' energy: -92.760 flat angles P-C4'-P energy: -57.678 tors. eta vs tors. theta energy: -102.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1159.049574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.049574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.049574 (E_RNA) where: Base-Base interactions energy: -764.004 where: short stacking energy: -317.519 Base-Backbone interact. energy: -1.305 local terms energy: -393.740275 where: bonds (distance) C4'-P energy: -84.345 bonds (distance) P-C4' energy: -75.998 flat angles C4'-P-C4' energy: -82.902 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: -84.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -973.328952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.328952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.328952 (E_RNA) where: Base-Base interactions energy: -606.426 where: short stacking energy: -277.646 Base-Backbone interact. energy: -1.821 local terms energy: -365.081201 where: bonds (distance) C4'-P energy: -64.986 bonds (distance) P-C4' energy: -82.793 flat angles C4'-P-C4' energy: -96.555 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -58.080 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: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -716.670260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.670260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.670260 (E_RNA) where: Base-Base interactions energy: -401.847 where: short stacking energy: -218.166 Base-Backbone interact. energy: -1.804 local terms energy: -313.019153 where: bonds (distance) C4'-P energy: -68.744 bonds (distance) P-C4' energy: -83.283 flat angles C4'-P-C4' energy: -76.210 flat angles P-C4'-P energy: -50.669 tors. eta vs tors. theta energy: -34.113 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: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -630.443839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.443839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.443839 (E_RNA) where: Base-Base interactions energy: -345.966 where: short stacking energy: -173.822 Base-Backbone interact. energy: 0.012 local terms energy: -284.489840 where: bonds (distance) C4'-P energy: -81.754 bonds (distance) P-C4' energy: -79.017 flat angles C4'-P-C4' energy: -65.274 flat angles P-C4'-P energy: -46.157 tors. eta vs tors. theta energy: -12.288 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: 10, replica: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -522.963169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.963169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.963169 (E_RNA) where: Base-Base interactions energy: -284.960 where: short stacking energy: -150.710 Base-Backbone interact. energy: 7.226 local terms energy: -245.229669 where: bonds (distance) C4'-P energy: -69.231 bonds (distance) P-C4' energy: -68.676 flat angles C4'-P-C4' energy: -65.735 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1611.995602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.995602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.995602 (E_RNA) where: Base-Base interactions energy: -1113.996 where: short stacking energy: -452.743 Base-Backbone interact. energy: -2.872 local terms energy: -495.128011 where: bonds (distance) C4'-P energy: -87.777 bonds (distance) P-C4' energy: -96.271 flat angles C4'-P-C4' energy: -114.651 flat angles P-C4'-P energy: -66.449 tors. eta vs tors. theta energy: -129.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1548.815357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.815357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.815357 (E_RNA) where: Base-Base interactions energy: -1043.302 where: short stacking energy: -435.828 Base-Backbone interact. energy: -0.568 local terms energy: -504.945685 where: bonds (distance) C4'-P energy: -88.902 bonds (distance) P-C4' energy: -95.222 flat angles C4'-P-C4' energy: -107.562 flat angles P-C4'-P energy: -72.288 tors. eta vs tors. theta energy: -140.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1510.778551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.778551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.778551 (E_RNA) where: Base-Base interactions energy: -1045.046 where: short stacking energy: -415.162 Base-Backbone interact. energy: -3.706 local terms energy: -462.026381 where: bonds (distance) C4'-P energy: -78.352 bonds (distance) P-C4' energy: -87.103 flat angles C4'-P-C4' energy: -102.912 flat angles P-C4'-P energy: -69.708 tors. eta vs tors. theta energy: -123.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1459.123618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.123618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.123618 (E_RNA) where: Base-Base interactions energy: -999.166 where: short stacking energy: -442.038 Base-Backbone interact. energy: -0.222 local terms energy: -459.735022 where: bonds (distance) C4'-P energy: -78.112 bonds (distance) P-C4' energy: -74.265 flat angles C4'-P-C4' energy: -100.633 flat angles P-C4'-P energy: -62.154 tors. eta vs tors. theta energy: -144.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1319.314295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.314295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.314295 (E_RNA) where: Base-Base interactions energy: -908.676 where: short stacking energy: -381.148 Base-Backbone interact. energy: 1.965 local terms energy: -412.603071 where: bonds (distance) C4'-P energy: -73.585 bonds (distance) P-C4' energy: -70.889 flat angles C4'-P-C4' energy: -98.323 flat angles P-C4'-P energy: -65.162 tors. eta vs tors. theta energy: -104.644 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: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1066.434074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.434074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.434074 (E_RNA) where: Base-Base interactions energy: -697.074 where: short stacking energy: -308.341 Base-Backbone interact. energy: -0.196 local terms energy: -369.163838 where: bonds (distance) C4'-P energy: -62.686 bonds (distance) P-C4' energy: -88.087 flat angles C4'-P-C4' energy: -89.622 flat angles P-C4'-P energy: -46.367 tors. eta vs tors. theta energy: -82.401 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: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1005.622528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.622528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.622528 (E_RNA) where: Base-Base interactions energy: -654.279 where: short stacking energy: -301.456 Base-Backbone interact. energy: 4.382 local terms energy: -355.725552 where: bonds (distance) C4'-P energy: -73.007 bonds (distance) P-C4' energy: -70.051 flat angles C4'-P-C4' energy: -82.043 flat angles P-C4'-P energy: -57.642 tors. eta vs tors. theta energy: -72.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -704.333137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.333137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.333137 (E_RNA) where: Base-Base interactions energy: -412.347 where: short stacking energy: -199.507 Base-Backbone interact. energy: -3.154 local terms energy: -288.831728 where: bonds (distance) C4'-P energy: -69.331 bonds (distance) P-C4' energy: -96.424 flat angles C4'-P-C4' energy: -54.066 flat angles P-C4'-P energy: -31.264 tors. eta vs tors. theta energy: -37.747 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: 10 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -618.103597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.103597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.103597 (E_RNA) where: Base-Base interactions energy: -318.371 where: short stacking energy: -163.270 Base-Backbone interact. energy: 3.532 local terms energy: -303.264598 where: bonds (distance) C4'-P energy: -84.695 bonds (distance) P-C4' energy: -86.871 flat angles C4'-P-C4' energy: -72.782 flat angles P-C4'-P energy: -47.088 tors. eta vs tors. theta energy: -11.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -524.910184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.910184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.910184 (E_RNA) where: Base-Base interactions energy: -276.849 where: short stacking energy: -132.927 Base-Backbone interact. energy: -2.793 local terms energy: -245.268048 where: bonds (distance) C4'-P energy: -42.166 bonds (distance) P-C4' energy: -76.572 flat angles C4'-P-C4' energy: -75.258 flat angles P-C4'-P energy: -49.459 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1599.524430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.524430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.524430 (E_RNA) where: Base-Base interactions energy: -1093.696 where: short stacking energy: -477.411 Base-Backbone interact. energy: -0.549 local terms energy: -505.278833 where: bonds (distance) C4'-P energy: -95.692 bonds (distance) P-C4' energy: -85.045 flat angles C4'-P-C4' energy: -100.559 flat angles P-C4'-P energy: -75.412 tors. eta vs tors. theta energy: -148.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1580.358853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.358853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.358853 (E_RNA) where: Base-Base interactions energy: -1103.690 where: short stacking energy: -448.046 Base-Backbone interact. energy: 0.897 local terms energy: -477.565467 where: bonds (distance) C4'-P energy: -80.506 bonds (distance) P-C4' energy: -93.634 flat angles C4'-P-C4' energy: -101.149 flat angles P-C4'-P energy: -64.280 tors. eta vs tors. theta energy: -137.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1490.739809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.739809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.739809 (E_RNA) where: Base-Base interactions energy: -1043.024 where: short stacking energy: -417.450 Base-Backbone interact. energy: -1.807 local terms energy: -445.909298 where: bonds (distance) C4'-P energy: -77.753 bonds (distance) P-C4' energy: -84.643 flat angles C4'-P-C4' energy: -87.447 flat angles P-C4'-P energy: -69.569 tors. eta vs tors. theta energy: -126.497 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: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1460.939936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.939936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.939936 (E_RNA) where: Base-Base interactions energy: -993.317 where: short stacking energy: -440.605 Base-Backbone interact. energy: 0.235 local terms energy: -467.857930 where: bonds (distance) C4'-P energy: -92.570 bonds (distance) P-C4' energy: -79.410 flat angles C4'-P-C4' energy: -103.359 flat angles P-C4'-P energy: -55.545 tors. eta vs tors. theta energy: -136.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1317.750845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.750845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.750845 (E_RNA) where: Base-Base interactions energy: -911.923 where: short stacking energy: -391.689 Base-Backbone interact. energy: -1.394 local terms energy: -404.433600 where: bonds (distance) C4'-P energy: -80.338 bonds (distance) P-C4' energy: -76.411 flat angles C4'-P-C4' energy: -90.048 flat angles P-C4'-P energy: -55.895 tors. eta vs tors. theta energy: -101.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1063.269322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.269322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.269322 (E_RNA) where: Base-Base interactions energy: -702.051 where: short stacking energy: -296.865 Base-Backbone interact. energy: -2.637 local terms energy: -358.580769 where: bonds (distance) C4'-P energy: -66.590 bonds (distance) P-C4' energy: -91.717 flat angles C4'-P-C4' energy: -86.031 flat angles P-C4'-P energy: -48.893 tors. eta vs tors. theta energy: -65.350 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: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1050.575264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.575264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.575264 (E_RNA) where: Base-Base interactions energy: -679.236 where: short stacking energy: -301.153 Base-Backbone interact. energy: -0.842 local terms energy: -370.497863 where: bonds (distance) C4'-P energy: -81.857 bonds (distance) P-C4' energy: -78.241 flat angles C4'-P-C4' energy: -76.884 flat angles P-C4'-P energy: -53.122 tors. eta vs tors. theta energy: -80.394 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: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -719.081651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.081651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.081651 (E_RNA) where: Base-Base interactions energy: -433.579 where: short stacking energy: -236.862 Base-Backbone interact. energy: 2.907 local terms energy: -288.409667 where: bonds (distance) C4'-P energy: -55.945 bonds (distance) P-C4' energy: -61.932 flat angles C4'-P-C4' energy: -77.773 flat angles P-C4'-P energy: -57.459 tors. eta vs tors. theta energy: -35.302 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: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -574.410918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.410918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.410918 (E_RNA) where: Base-Base interactions energy: -305.881 where: short stacking energy: -169.087 Base-Backbone interact. energy: 5.247 local terms energy: -273.777399 where: bonds (distance) C4'-P energy: -71.154 bonds (distance) P-C4' energy: -78.689 flat angles C4'-P-C4' energy: -55.021 flat angles P-C4'-P energy: -45.394 tors. eta vs tors. theta energy: -23.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -537.311052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.311052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.311052 (E_RNA) where: Base-Base interactions energy: -283.835 where: short stacking energy: -142.930 Base-Backbone interact. energy: 1.849 local terms energy: -255.324551 where: bonds (distance) C4'-P energy: -69.690 bonds (distance) P-C4' energy: -74.191 flat angles C4'-P-C4' energy: -80.573 flat angles P-C4'-P energy: -40.805 tors. eta vs tors. theta energy: 9.934 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: 5 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1601.351851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.351851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.351851 (E_RNA) where: Base-Base interactions energy: -1107.022 where: short stacking energy: -470.271 Base-Backbone interact. energy: -2.275 local terms energy: -492.054729 where: bonds (distance) C4'-P energy: -82.168 bonds (distance) P-C4' energy: -90.297 flat angles C4'-P-C4' energy: -102.769 flat angles P-C4'-P energy: -62.673 tors. eta vs tors. theta energy: -154.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1600.455787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.455787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.455787 (E_RNA) where: Base-Base interactions energy: -1104.863 where: short stacking energy: -449.062 Base-Backbone interact. energy: -3.313 local terms energy: -492.280388 where: bonds (distance) C4'-P energy: -91.100 bonds (distance) P-C4' energy: -86.540 flat angles C4'-P-C4' energy: -104.937 flat angles P-C4'-P energy: -68.610 tors. eta vs tors. theta energy: -141.093 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: 3, replica: 8 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1509.418205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.418205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.418205 (E_RNA) where: Base-Base interactions energy: -1042.772 where: short stacking energy: -432.046 Base-Backbone interact. energy: 1.123 local terms energy: -467.769207 where: bonds (distance) C4'-P energy: -81.082 bonds (distance) P-C4' energy: -84.894 flat angles C4'-P-C4' energy: -101.449 flat angles P-C4'-P energy: -75.711 tors. eta vs tors. theta energy: -124.632 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: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1446.422067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.422067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.422067 (E_RNA) where: Base-Base interactions energy: -987.619 where: short stacking energy: -426.630 Base-Backbone interact. energy: -1.055 local terms energy: -457.747788 where: bonds (distance) C4'-P energy: -79.154 bonds (distance) P-C4' energy: -91.518 flat angles C4'-P-C4' energy: -92.845 flat angles P-C4'-P energy: -69.972 tors. eta vs tors. theta energy: -124.260 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: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1339.681244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.681244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.681244 (E_RNA) where: Base-Base interactions energy: -924.162 where: short stacking energy: -351.184 Base-Backbone interact. energy: 2.073 local terms energy: -417.591589 where: bonds (distance) C4'-P energy: -73.896 bonds (distance) P-C4' energy: -88.836 flat angles C4'-P-C4' energy: -88.219 flat angles P-C4'-P energy: -64.166 tors. eta vs tors. theta energy: -102.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1117.267659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.267659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.267659 (E_RNA) where: Base-Base interactions energy: -758.961 where: short stacking energy: -325.655 Base-Backbone interact. energy: 2.017 local terms energy: -360.323077 where: bonds (distance) C4'-P energy: -76.572 bonds (distance) P-C4' energy: -72.049 flat angles C4'-P-C4' energy: -74.101 flat angles P-C4'-P energy: -54.197 tors. eta vs tors. theta energy: -83.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -973.219302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.219302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.219302 (E_RNA) where: Base-Base interactions energy: -632.430 where: short stacking energy: -276.037 Base-Backbone interact. energy: -0.670 local terms energy: -340.119910 where: bonds (distance) C4'-P energy: -67.355 bonds (distance) P-C4' energy: -89.519 flat angles C4'-P-C4' energy: -79.990 flat angles P-C4'-P energy: -46.367 tors. eta vs tors. theta energy: -56.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -721.611683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.611683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.611683 (E_RNA) where: Base-Base interactions energy: -403.403 where: short stacking energy: -192.988 Base-Backbone interact. energy: -0.303 local terms energy: -317.905015 where: bonds (distance) C4'-P energy: -70.270 bonds (distance) P-C4' energy: -90.627 flat angles C4'-P-C4' energy: -79.459 flat angles P-C4'-P energy: -48.329 tors. eta vs tors. theta energy: -29.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -560.497804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.497804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.497804 (E_RNA) where: Base-Base interactions energy: -305.954 where: short stacking energy: -176.082 Base-Backbone interact. energy: -2.376 local terms energy: -252.167066 where: bonds (distance) C4'-P energy: -72.460 bonds (distance) P-C4' energy: -70.775 flat angles C4'-P-C4' energy: -62.913 flat angles P-C4'-P energy: -35.023 tors. eta vs tors. theta energy: -10.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -540.900544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.900544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.900544 (E_RNA) where: Base-Base interactions energy: -292.057 where: short stacking energy: -144.724 Base-Backbone interact. energy: -0.409 local terms energy: -248.434834 where: bonds (distance) C4'-P energy: -65.924 bonds (distance) P-C4' energy: -90.545 flat angles C4'-P-C4' energy: -61.110 flat angles P-C4'-P energy: -35.400 tors. eta vs tors. theta energy: 4.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1601.090201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.090201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.090201 (E_RNA) where: Base-Base interactions energy: -1098.524 where: short stacking energy: -477.775 Base-Backbone interact. energy: 0.597 local terms energy: -503.163311 where: bonds (distance) C4'-P energy: -89.938 bonds (distance) P-C4' energy: -92.665 flat angles C4'-P-C4' energy: -101.543 flat angles P-C4'-P energy: -65.088 tors. eta vs tors. theta energy: -153.928 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: 404 Temperature: 0.950000 Total energy: -1557.593174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.593174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.593174 (E_RNA) where: Base-Base interactions energy: -1091.896 where: short stacking energy: -426.606 Base-Backbone interact. energy: -1.194 local terms energy: -464.502963 where: bonds (distance) C4'-P energy: -80.738 bonds (distance) P-C4' energy: -94.587 flat angles C4'-P-C4' energy: -102.065 flat angles P-C4'-P energy: -53.678 tors. eta vs tors. theta energy: -133.435 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: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1549.815203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.815203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.815203 (E_RNA) where: Base-Base interactions energy: -1053.327 where: short stacking energy: -438.261 Base-Backbone interact. energy: -2.223 local terms energy: -494.265781 where: bonds (distance) C4'-P energy: -80.135 bonds (distance) P-C4' energy: -94.251 flat angles C4'-P-C4' energy: -101.933 flat angles P-C4'-P energy: -74.331 tors. eta vs tors. theta energy: -143.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1459.744793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.744793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.744793 (E_RNA) where: Base-Base interactions energy: -1014.529 where: short stacking energy: -402.963 Base-Backbone interact. energy: -1.019 local terms energy: -444.196305 where: bonds (distance) C4'-P energy: -78.638 bonds (distance) P-C4' energy: -87.606 flat angles C4'-P-C4' energy: -93.387 flat angles P-C4'-P energy: -59.129 tors. eta vs tors. theta energy: -125.436 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: 404 Temperature: 1.100000 Total energy: -1375.934285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.934285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.934285 (E_RNA) where: Base-Base interactions energy: -929.680 where: short stacking energy: -372.190 Base-Backbone interact. energy: -0.588 local terms energy: -445.665589 where: bonds (distance) C4'-P energy: -94.269 bonds (distance) P-C4' energy: -94.417 flat angles C4'-P-C4' energy: -94.052 flat angles P-C4'-P energy: -53.263 tors. eta vs tors. theta energy: -109.664 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: 3 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1116.052626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.052626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.052626 (E_RNA) where: Base-Base interactions energy: -736.278 where: short stacking energy: -320.321 Base-Backbone interact. energy: -1.359 local terms energy: -378.415326 where: bonds (distance) C4'-P energy: -67.137 bonds (distance) P-C4' energy: -78.994 flat angles C4'-P-C4' energy: -87.494 flat angles P-C4'-P energy: -60.519 tors. eta vs tors. theta energy: -84.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -948.636499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.636499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.636499 (E_RNA) where: Base-Base interactions energy: -610.692 where: short stacking energy: -274.033 Base-Backbone interact. energy: 0.463 local terms energy: -338.407242 where: bonds (distance) C4'-P energy: -68.427 bonds (distance) P-C4' energy: -85.845 flat angles C4'-P-C4' energy: -88.717 flat angles P-C4'-P energy: -38.700 tors. eta vs tors. theta energy: -56.718 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: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -739.603605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.603605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.603605 (E_RNA) where: Base-Base interactions energy: -458.323 where: short stacking energy: -244.004 Base-Backbone interact. energy: 0.355 local terms energy: -281.635695 where: bonds (distance) C4'-P energy: -70.378 bonds (distance) P-C4' energy: -82.817 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -21.135 tors. eta vs tors. theta energy: -33.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -576.625918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.625918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.625918 (E_RNA) where: Base-Base interactions energy: -292.952 where: short stacking energy: -179.058 Base-Backbone interact. energy: -1.853 local terms energy: -281.821059 where: bonds (distance) C4'-P energy: -76.034 bonds (distance) P-C4' energy: -76.317 flat angles C4'-P-C4' energy: -72.861 flat angles P-C4'-P energy: -37.637 tors. eta vs tors. theta energy: -18.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -523.342186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.342186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.342186 (E_RNA) where: Base-Base interactions energy: -283.708 where: short stacking energy: -149.473 Base-Backbone interact. energy: 3.052 local terms energy: -242.685852 where: bonds (distance) C4'-P energy: -66.677 bonds (distance) P-C4' energy: -77.728 flat angles C4'-P-C4' energy: -64.006 flat angles P-C4'-P energy: -32.865 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1591.109777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.109777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.109777 (E_RNA) where: Base-Base interactions energy: -1079.646 where: short stacking energy: -477.506 Base-Backbone interact. energy: 0.943 local terms energy: -512.406452 where: bonds (distance) C4'-P energy: -99.732 bonds (distance) P-C4' energy: -86.702 flat angles C4'-P-C4' energy: -104.163 flat angles P-C4'-P energy: -65.763 tors. eta vs tors. theta energy: -156.046 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: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1585.251825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.251825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.251825 (E_RNA) where: Base-Base interactions energy: -1110.758 where: short stacking energy: -434.882 Base-Backbone interact. energy: 0.014 local terms energy: -474.508139 where: bonds (distance) C4'-P energy: -83.824 bonds (distance) P-C4' energy: -94.307 flat angles C4'-P-C4' energy: -93.858 flat angles P-C4'-P energy: -68.146 tors. eta vs tors. theta energy: -134.372 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: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1508.575620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.575620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.575620 (E_RNA) where: Base-Base interactions energy: -1010.271 where: short stacking energy: -423.621 Base-Backbone interact. energy: 0.282 local terms energy: -498.587135 where: bonds (distance) C4'-P energy: -83.895 bonds (distance) P-C4' energy: -92.114 flat angles C4'-P-C4' energy: -107.333 flat angles P-C4'-P energy: -73.770 tors. eta vs tors. theta energy: -141.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1447.637855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.637855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.637855 (E_RNA) where: Base-Base interactions energy: -1014.229 where: short stacking energy: -375.861 Base-Backbone interact. energy: 0.075 local terms energy: -433.484125 where: bonds (distance) C4'-P energy: -85.406 bonds (distance) P-C4' energy: -74.675 flat angles C4'-P-C4' energy: -99.034 flat angles P-C4'-P energy: -54.830 tors. eta vs tors. theta energy: -119.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1355.376253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.376253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.376253 (E_RNA) where: Base-Base interactions energy: -939.873 where: short stacking energy: -382.562 Base-Backbone interact. energy: -0.267 local terms energy: -415.236439 where: bonds (distance) C4'-P energy: -80.859 bonds (distance) P-C4' energy: -79.383 flat angles C4'-P-C4' energy: -89.614 flat angles P-C4'-P energy: -47.474 tors. eta vs tors. theta energy: -117.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1157.271572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.271572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.271572 (E_RNA) where: Base-Base interactions energy: -784.175 where: short stacking energy: -324.529 Base-Backbone interact. energy: 0.686 local terms energy: -373.783013 where: bonds (distance) C4'-P energy: -77.267 bonds (distance) P-C4' energy: -83.201 flat angles C4'-P-C4' energy: -79.727 flat angles P-C4'-P energy: -42.848 tors. eta vs tors. theta energy: -90.740 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: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -976.150665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.150665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.150665 (E_RNA) where: Base-Base interactions energy: -626.106 where: short stacking energy: -292.470 Base-Backbone interact. energy: -2.450 local terms energy: -347.594551 where: bonds (distance) C4'-P energy: -66.544 bonds (distance) P-C4' energy: -93.623 flat angles C4'-P-C4' energy: -77.037 flat angles P-C4'-P energy: -53.759 tors. eta vs tors. theta energy: -56.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -757.128322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.128322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.128322 (E_RNA) where: Base-Base interactions energy: -415.907 where: short stacking energy: -209.034 Base-Backbone interact. energy: -1.484 local terms energy: -339.736715 where: bonds (distance) C4'-P energy: -77.426 bonds (distance) P-C4' energy: -84.819 flat angles C4'-P-C4' energy: -82.628 flat angles P-C4'-P energy: -48.420 tors. eta vs tors. theta energy: -46.444 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: 9, replica: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -548.376921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.376921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.376921 (E_RNA) where: Base-Base interactions energy: -275.392 where: short stacking energy: -165.463 Base-Backbone interact. energy: -2.778 local terms energy: -270.206696 where: bonds (distance) C4'-P energy: -70.415 bonds (distance) P-C4' energy: -77.210 flat angles C4'-P-C4' energy: -76.167 flat angles P-C4'-P energy: -32.719 tors. eta vs tors. theta energy: -13.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -539.815580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.815580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.815580 (E_RNA) where: Base-Base interactions energy: -278.062 where: short stacking energy: -138.806 Base-Backbone interact. energy: 0.550 local terms energy: -262.302950 where: bonds (distance) C4'-P energy: -70.562 bonds (distance) P-C4' energy: -58.565 flat angles C4'-P-C4' energy: -86.058 flat angles P-C4'-P energy: -46.648 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1625.489898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.489898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.489898 (E_RNA) where: Base-Base interactions energy: -1119.462 where: short stacking energy: -461.821 Base-Backbone interact. energy: -3.423 local terms energy: -502.605032 where: bonds (distance) C4'-P energy: -100.323 bonds (distance) P-C4' energy: -100.087 flat angles C4'-P-C4' energy: -101.424 flat angles P-C4'-P energy: -67.963 tors. eta vs tors. theta energy: -132.807 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: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1565.197418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.197418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.197418 (E_RNA) where: Base-Base interactions energy: -1059.267 where: short stacking energy: -449.745 Base-Backbone interact. energy: -0.538 local terms energy: -505.392898 where: bonds (distance) C4'-P energy: -90.922 bonds (distance) P-C4' energy: -91.664 flat angles C4'-P-C4' energy: -108.155 flat angles P-C4'-P energy: -67.616 tors. eta vs tors. theta energy: -147.037 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: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1522.062893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.062893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.062893 (E_RNA) where: Base-Base interactions energy: -1010.745 where: short stacking energy: -441.919 Base-Backbone interact. energy: -1.503 local terms energy: -509.815043 where: bonds (distance) C4'-P energy: -88.731 bonds (distance) P-C4' energy: -94.410 flat angles C4'-P-C4' energy: -108.317 flat angles P-C4'-P energy: -74.001 tors. eta vs tors. theta energy: -144.355 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: 406 Temperature: 1.050000 Total energy: -1444.570862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.570862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.570862 (E_RNA) where: Base-Base interactions energy: -1004.035 where: short stacking energy: -411.824 Base-Backbone interact. energy: -0.365 local terms energy: -440.171137 where: bonds (distance) C4'-P energy: -87.764 bonds (distance) P-C4' energy: -83.801 flat angles C4'-P-C4' energy: -91.407 flat angles P-C4'-P energy: -67.329 tors. eta vs tors. theta energy: -109.871 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: 4 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1414.933946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.933946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.933946 (E_RNA) where: Base-Base interactions energy: -981.434 where: short stacking energy: -416.929 Base-Backbone interact. energy: 0.410 local terms energy: -433.909301 where: bonds (distance) C4'-P energy: -86.666 bonds (distance) P-C4' energy: -72.505 flat angles C4'-P-C4' energy: -101.389 flat angles P-C4'-P energy: -55.880 tors. eta vs tors. theta energy: -117.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1159.961554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.961554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.961554 (E_RNA) where: Base-Base interactions energy: -775.510 where: short stacking energy: -318.955 Base-Backbone interact. energy: -0.987 local terms energy: -383.464411 where: bonds (distance) C4'-P energy: -73.471 bonds (distance) P-C4' energy: -78.027 flat angles C4'-P-C4' energy: -92.486 flat angles P-C4'-P energy: -51.584 tors. eta vs tors. theta energy: -87.897 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: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -961.626881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.626881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.626881 (E_RNA) where: Base-Base interactions energy: -596.371 where: short stacking energy: -297.270 Base-Backbone interact. energy: -2.184 local terms energy: -363.071705 where: bonds (distance) C4'-P energy: -73.840 bonds (distance) P-C4' energy: -80.556 flat angles C4'-P-C4' energy: -83.575 flat angles P-C4'-P energy: -60.380 tors. eta vs tors. theta energy: -64.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -767.958636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.958636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.958636 (E_RNA) where: Base-Base interactions energy: -457.172 where: short stacking energy: -215.663 Base-Backbone interact. energy: 1.724 local terms energy: -312.510880 where: bonds (distance) C4'-P energy: -70.262 bonds (distance) P-C4' energy: -77.004 flat angles C4'-P-C4' energy: -76.489 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: -29.664 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: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -554.649524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.649524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.649524 (E_RNA) where: Base-Base interactions energy: -297.732 where: short stacking energy: -146.930 Base-Backbone interact. energy: 5.216 local terms energy: -262.132865 where: bonds (distance) C4'-P energy: -84.560 bonds (distance) P-C4' energy: -76.007 flat angles C4'-P-C4' energy: -64.254 flat angles P-C4'-P energy: -45.617 tors. eta vs tors. theta energy: 8.305 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: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -549.563157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.563157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.563157 (E_RNA) where: Base-Base interactions energy: -289.001 where: short stacking energy: -177.625 Base-Backbone interact. energy: 2.232 local terms energy: -262.793623 where: bonds (distance) C4'-P energy: -81.200 bonds (distance) P-C4' energy: -80.387 flat angles C4'-P-C4' energy: -56.290 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: -4.003 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: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1622.222788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.222788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.222788 (E_RNA) where: Base-Base interactions energy: -1110.957 where: short stacking energy: -454.545 Base-Backbone interact. energy: -3.365 local terms energy: -507.900103 where: bonds (distance) C4'-P energy: -99.329 bonds (distance) P-C4' energy: -90.010 flat angles C4'-P-C4' energy: -101.748 flat angles P-C4'-P energy: -75.328 tors. eta vs tors. theta energy: -141.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1554.494225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.494225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.494225 (E_RNA) where: Base-Base interactions energy: -1071.451 where: short stacking energy: -462.423 Base-Backbone interact. energy: -1.567 local terms energy: -481.476152 where: bonds (distance) C4'-P energy: -79.484 bonds (distance) P-C4' energy: -86.086 flat angles C4'-P-C4' energy: -104.066 flat angles P-C4'-P energy: -67.084 tors. eta vs tors. theta energy: -144.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1522.121585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.121585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.121585 (E_RNA) where: Base-Base interactions energy: -1032.567 where: short stacking energy: -460.706 Base-Backbone interact. energy: -1.851 local terms energy: -487.704355 where: bonds (distance) C4'-P energy: -86.960 bonds (distance) P-C4' energy: -81.845 flat angles C4'-P-C4' energy: -108.487 flat angles P-C4'-P energy: -71.461 tors. eta vs tors. theta energy: -138.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1454.773507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.773507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.773507 (E_RNA) where: Base-Base interactions energy: -1017.695 where: short stacking energy: -434.256 Base-Backbone interact. energy: -0.331 local terms energy: -436.748314 where: bonds (distance) C4'-P energy: -72.693 bonds (distance) P-C4' energy: -84.208 flat angles C4'-P-C4' energy: -93.309 flat angles P-C4'-P energy: -57.781 tors. eta vs tors. theta energy: -128.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1398.029563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.029563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.029563 (E_RNA) where: Base-Base interactions energy: -965.342 where: short stacking energy: -423.761 Base-Backbone interact. energy: -4.114 local terms energy: -428.573626 where: bonds (distance) C4'-P energy: -78.154 bonds (distance) P-C4' energy: -84.228 flat angles C4'-P-C4' energy: -88.962 flat angles P-C4'-P energy: -60.523 tors. eta vs tors. theta energy: -116.707 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: 3 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1136.605766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.605766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.605766 (E_RNA) where: Base-Base interactions energy: -750.851 where: short stacking energy: -334.028 Base-Backbone interact. energy: -1.941 local terms energy: -383.814368 where: bonds (distance) C4'-P energy: -83.996 bonds (distance) P-C4' energy: -68.089 flat angles C4'-P-C4' energy: -89.534 flat angles P-C4'-P energy: -56.851 tors. eta vs tors. theta energy: -85.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -997.493515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.493515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.493515 (E_RNA) where: Base-Base interactions energy: -642.609 where: short stacking energy: -292.086 Base-Backbone interact. energy: -1.366 local terms energy: -353.518200 where: bonds (distance) C4'-P energy: -69.868 bonds (distance) P-C4' energy: -77.669 flat angles C4'-P-C4' energy: -80.758 flat angles P-C4'-P energy: -53.521 tors. eta vs tors. theta energy: -71.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -763.723989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.723989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.723989 (E_RNA) where: Base-Base interactions energy: -454.806 where: short stacking energy: -221.710 Base-Backbone interact. energy: 1.012 local terms energy: -309.930399 where: bonds (distance) C4'-P energy: -78.285 bonds (distance) P-C4' energy: -83.235 flat angles C4'-P-C4' energy: -79.741 flat angles P-C4'-P energy: -35.383 tors. eta vs tors. theta energy: -33.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -579.555265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.555265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.555265 (E_RNA) where: Base-Base interactions energy: -309.910 where: short stacking energy: -180.108 Base-Backbone interact. energy: 0.751 local terms energy: -270.395593 where: bonds (distance) C4'-P energy: -72.908 bonds (distance) P-C4' energy: -74.243 flat angles C4'-P-C4' energy: -67.136 flat angles P-C4'-P energy: -41.338 tors. eta vs tors. theta energy: -14.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -536.194311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.194311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.194311 (E_RNA) where: Base-Base interactions energy: -271.838 where: short stacking energy: -143.321 Base-Backbone interact. energy: -2.179 local terms energy: -262.176993 where: bonds (distance) C4'-P energy: -85.697 bonds (distance) P-C4' energy: -78.112 flat angles C4'-P-C4' energy: -68.294 flat angles P-C4'-P energy: -37.310 tors. eta vs tors. theta energy: 7.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1625.324157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.324157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.324157 (E_RNA) where: Base-Base interactions energy: -1136.915 where: short stacking energy: -465.845 Base-Backbone interact. energy: -4.914 local terms energy: -483.495343 where: bonds (distance) C4'-P energy: -80.471 bonds (distance) P-C4' energy: -80.502 flat angles C4'-P-C4' energy: -103.477 flat angles P-C4'-P energy: -76.998 tors. eta vs tors. theta energy: -142.048 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: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1572.561151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.561151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.561151 (E_RNA) where: Base-Base interactions energy: -1068.403 where: short stacking energy: -461.460 Base-Backbone interact. energy: -1.521 local terms energy: -502.637025 where: bonds (distance) C4'-P energy: -88.099 bonds (distance) P-C4' energy: -86.653 flat angles C4'-P-C4' energy: -107.133 flat angles P-C4'-P energy: -77.139 tors. eta vs tors. theta energy: -143.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1529.576226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.576226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.576226 (E_RNA) where: Base-Base interactions energy: -1046.111 where: short stacking energy: -442.218 Base-Backbone interact. energy: -0.568 local terms energy: -482.897792 where: bonds (distance) C4'-P energy: -78.529 bonds (distance) P-C4' energy: -90.121 flat angles C4'-P-C4' energy: -100.076 flat angles P-C4'-P energy: -73.239 tors. eta vs tors. theta energy: -140.932 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: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1438.622994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.622994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.622994 (E_RNA) where: Base-Base interactions energy: -972.359 where: short stacking energy: -403.656 Base-Backbone interact. energy: -1.435 local terms energy: -464.829331 where: bonds (distance) C4'-P energy: -75.566 bonds (distance) P-C4' energy: -87.441 flat angles C4'-P-C4' energy: -105.360 flat angles P-C4'-P energy: -69.862 tors. eta vs tors. theta energy: -126.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1379.691787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.691787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.691787 (E_RNA) where: Base-Base interactions energy: -936.978 where: short stacking energy: -383.651 Base-Backbone interact. energy: 3.445 local terms energy: -446.158779 where: bonds (distance) C4'-P energy: -83.072 bonds (distance) P-C4' energy: -82.534 flat angles C4'-P-C4' energy: -90.111 flat angles P-C4'-P energy: -82.386 tors. eta vs tors. theta energy: -108.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1186.104881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.104881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.104881 (E_RNA) where: Base-Base interactions energy: -821.778 where: short stacking energy: -338.525 Base-Backbone interact. energy: -2.984 local terms energy: -361.342491 where: bonds (distance) C4'-P energy: -67.327 bonds (distance) P-C4' energy: -84.684 flat angles C4'-P-C4' energy: -76.021 flat angles P-C4'-P energy: -38.470 tors. eta vs tors. theta energy: -94.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -953.271067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.271067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.271067 (E_RNA) where: Base-Base interactions energy: -595.855 where: short stacking energy: -279.740 Base-Backbone interact. energy: -0.507 local terms energy: -356.909758 where: bonds (distance) C4'-P energy: -88.351 bonds (distance) P-C4' energy: -81.818 flat angles C4'-P-C4' energy: -66.361 flat angles P-C4'-P energy: -47.285 tors. eta vs tors. theta energy: -73.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -705.113428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.113428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.113428 (E_RNA) where: Base-Base interactions energy: -401.081 where: short stacking energy: -188.978 Base-Backbone interact. energy: -1.678 local terms energy: -302.354388 where: bonds (distance) C4'-P energy: -74.431 bonds (distance) P-C4' energy: -77.014 flat angles C4'-P-C4' energy: -77.115 flat angles P-C4'-P energy: -60.498 tors. eta vs tors. theta energy: -13.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -566.118437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.118437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.118437 (E_RNA) where: Base-Base interactions energy: -301.230 where: short stacking energy: -148.928 Base-Backbone interact. energy: -0.321 local terms energy: -264.567531 where: bonds (distance) C4'-P energy: -74.865 bonds (distance) P-C4' energy: -84.914 flat angles C4'-P-C4' energy: -67.440 flat angles P-C4'-P energy: -31.241 tors. eta vs tors. theta energy: -6.108 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: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -533.807365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.807365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.807365 (E_RNA) where: Base-Base interactions energy: -276.010 where: short stacking energy: -155.854 Base-Backbone interact. energy: -0.065 local terms energy: -257.732343 where: bonds (distance) C4'-P energy: -62.186 bonds (distance) P-C4' energy: -65.820 flat angles C4'-P-C4' energy: -65.781 flat angles P-C4'-P energy: -46.949 tors. eta vs tors. theta energy: -16.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1605.951424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.951424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.951424 (E_RNA) where: Base-Base interactions energy: -1123.017 where: short stacking energy: -445.510 Base-Backbone interact. energy: -1.303 local terms energy: -481.632012 where: bonds (distance) C4'-P energy: -88.985 bonds (distance) P-C4' energy: -86.896 flat angles C4'-P-C4' energy: -95.766 flat angles P-C4'-P energy: -70.421 tors. eta vs tors. theta energy: -139.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1584.230874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.230874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.230874 (E_RNA) where: Base-Base interactions energy: -1082.090 where: short stacking energy: -465.331 Base-Backbone interact. energy: -2.949 local terms energy: -499.192259 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -102.062 flat angles C4'-P-C4' energy: -109.019 flat angles P-C4'-P energy: -63.884 tors. eta vs tors. theta energy: -143.674 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: 3, replica: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1542.445035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.445035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.445035 (E_RNA) where: Base-Base interactions energy: -1065.547 where: short stacking energy: -462.413 Base-Backbone interact. energy: -1.922 local terms energy: -474.976342 where: bonds (distance) C4'-P energy: -77.665 bonds (distance) P-C4' energy: -77.937 flat angles C4'-P-C4' energy: -106.788 flat angles P-C4'-P energy: -74.418 tors. eta vs tors. theta energy: -138.168 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: 4, replica: 8 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1391.909254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.909254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.909254 (E_RNA) where: Base-Base interactions energy: -950.628 where: short stacking energy: -389.646 Base-Backbone interact. energy: -3.184 local terms energy: -438.097633 where: bonds (distance) C4'-P energy: -82.907 bonds (distance) P-C4' energy: -74.323 flat angles C4'-P-C4' energy: -89.930 flat angles P-C4'-P energy: -68.407 tors. eta vs tors. theta energy: -122.530 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: 409 Temperature: 1.100000 Total energy: -1397.425982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.425982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.425982 (E_RNA) where: Base-Base interactions energy: -973.184 where: short stacking energy: -375.696 Base-Backbone interact. energy: -0.634 local terms energy: -423.607248 where: bonds (distance) C4'-P energy: -71.846 bonds (distance) P-C4' energy: -82.980 flat angles C4'-P-C4' energy: -91.402 flat angles P-C4'-P energy: -64.395 tors. eta vs tors. theta energy: -112.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1199.111730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.111730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.111730 (E_RNA) where: Base-Base interactions energy: -784.166 where: short stacking energy: -335.097 Base-Backbone interact. energy: 0.393 local terms energy: -415.338284 where: bonds (distance) C4'-P energy: -74.637 bonds (distance) P-C4' energy: -96.587 flat angles C4'-P-C4' energy: -83.893 flat angles P-C4'-P energy: -63.513 tors. eta vs tors. theta energy: -96.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -934.161339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.161339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.161339 (E_RNA) where: Base-Base interactions energy: -587.205 where: short stacking energy: -265.575 Base-Backbone interact. energy: -2.565 local terms energy: -344.391500 where: bonds (distance) C4'-P energy: -83.857 bonds (distance) P-C4' energy: -83.005 flat angles C4'-P-C4' energy: -71.836 flat angles P-C4'-P energy: -52.639 tors. eta vs tors. theta energy: -53.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -629.854735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.854735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.854735 (E_RNA) where: Base-Base interactions energy: -333.031 where: short stacking energy: -189.732 Base-Backbone interact. energy: -0.294 local terms energy: -296.530262 where: bonds (distance) C4'-P energy: -81.080 bonds (distance) P-C4' energy: -80.573 flat angles C4'-P-C4' energy: -77.773 flat angles P-C4'-P energy: -40.178 tors. eta vs tors. theta energy: -16.927 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: 409 Temperature: 1.300000 Total energy: -628.323910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.323910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.323910 (E_RNA) where: Base-Base interactions energy: -367.548 where: short stacking energy: -181.555 Base-Backbone interact. energy: 0.412 local terms energy: -261.187869 where: bonds (distance) C4'-P energy: -71.672 bonds (distance) P-C4' energy: -62.913 flat angles C4'-P-C4' energy: -73.858 flat angles P-C4'-P energy: -47.400 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -535.274786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.274786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.274786 (E_RNA) where: Base-Base interactions energy: -263.706 where: short stacking energy: -145.619 Base-Backbone interact. energy: -2.007 local terms energy: -269.561655 where: bonds (distance) C4'-P energy: -80.277 bonds (distance) P-C4' energy: -83.339 flat angles C4'-P-C4' energy: -56.272 flat angles P-C4'-P energy: -45.332 tors. eta vs tors. theta energy: -4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1625.781742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.781742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.781742 (E_RNA) where: Base-Base interactions energy: -1118.435 where: short stacking energy: -502.535 Base-Backbone interact. energy: -0.548 local terms energy: -506.798845 where: bonds (distance) C4'-P energy: -84.788 bonds (distance) P-C4' energy: -95.377 flat angles C4'-P-C4' energy: -102.489 flat angles P-C4'-P energy: -70.150 tors. eta vs tors. theta energy: -153.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1583.038730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.038730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.038730 (E_RNA) where: Base-Base interactions energy: -1092.885 where: short stacking energy: -447.513 Base-Backbone interact. energy: -3.481 local terms energy: -486.672676 where: bonds (distance) C4'-P energy: -84.164 bonds (distance) P-C4' energy: -90.339 flat angles C4'-P-C4' energy: -102.509 flat angles P-C4'-P energy: -70.910 tors. eta vs tors. theta energy: -138.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1537.751379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.751379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.751379 (E_RNA) where: Base-Base interactions energy: -1055.406 where: short stacking energy: -457.082 Base-Backbone interact. energy: 3.272 local terms energy: -485.616982 where: bonds (distance) C4'-P energy: -81.762 bonds (distance) P-C4' energy: -81.674 flat angles C4'-P-C4' energy: -108.988 flat angles P-C4'-P energy: -72.889 tors. eta vs tors. theta energy: -140.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1432.654584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.654584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.654584 (E_RNA) where: Base-Base interactions energy: -981.847 where: short stacking energy: -409.219 Base-Backbone interact. energy: -1.121 local terms energy: -449.686390 where: bonds (distance) C4'-P energy: -79.868 bonds (distance) P-C4' energy: -89.503 flat angles C4'-P-C4' energy: -97.736 flat angles P-C4'-P energy: -56.124 tors. eta vs tors. theta energy: -126.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1369.781495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.781495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.781495 (E_RNA) where: Base-Base interactions energy: -952.691 where: short stacking energy: -383.206 Base-Backbone interact. energy: 4.252 local terms energy: -421.342648 where: bonds (distance) C4'-P energy: -75.689 bonds (distance) P-C4' energy: -81.296 flat angles C4'-P-C4' energy: -88.779 flat angles P-C4'-P energy: -61.426 tors. eta vs tors. theta energy: -114.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1257.110591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.110591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.110591 (E_RNA) where: Base-Base interactions energy: -813.607 where: short stacking energy: -338.545 Base-Backbone interact. energy: 2.867 local terms energy: -446.370085 where: bonds (distance) C4'-P energy: -78.316 bonds (distance) P-C4' energy: -92.426 flat angles C4'-P-C4' energy: -100.623 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: -109.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1014.536083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.536083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.536083 (E_RNA) where: Base-Base interactions energy: -679.690 where: short stacking energy: -281.972 Base-Backbone interact. energy: -0.787 local terms energy: -334.058848 where: bonds (distance) C4'-P energy: -85.529 bonds (distance) P-C4' energy: -68.914 flat angles C4'-P-C4' energy: -79.496 flat angles P-C4'-P energy: -24.564 tors. eta vs tors. theta energy: -75.556 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: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -620.676419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.676419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.676419 (E_RNA) where: Base-Base interactions energy: -311.256 where: short stacking energy: -173.126 Base-Backbone interact. energy: 0.748 local terms energy: -310.168735 where: bonds (distance) C4'-P energy: -78.080 bonds (distance) P-C4' energy: -97.566 flat angles C4'-P-C4' energy: -81.422 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: -10.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -666.535374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.535374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.535374 (E_RNA) where: Base-Base interactions energy: -389.450 where: short stacking energy: -195.440 Base-Backbone interact. energy: 0.403 local terms energy: -277.488145 where: bonds (distance) C4'-P energy: -71.090 bonds (distance) P-C4' energy: -75.929 flat angles C4'-P-C4' energy: -61.250 flat angles P-C4'-P energy: -48.629 tors. eta vs tors. theta energy: -20.589 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: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -509.251267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.251267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.251267 (E_RNA) where: Base-Base interactions energy: -243.649 where: short stacking energy: -119.499 Base-Backbone interact. energy: -2.651 local terms energy: -262.950776 where: bonds (distance) C4'-P energy: -73.559 bonds (distance) P-C4' energy: -89.010 flat angles C4'-P-C4' energy: -64.564 flat angles P-C4'-P energy: -46.764 tors. eta vs tors. theta energy: 10.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1617.854124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.854124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.854124 (E_RNA) where: Base-Base interactions energy: -1081.790 where: short stacking energy: -485.038 Base-Backbone interact. energy: -2.358 local terms energy: -533.706258 where: bonds (distance) C4'-P energy: -100.148 bonds (distance) P-C4' energy: -93.427 flat angles C4'-P-C4' energy: -112.523 flat angles P-C4'-P energy: -73.247 tors. eta vs tors. theta energy: -154.361 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: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1589.040252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.040252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.040252 (E_RNA) where: Base-Base interactions energy: -1100.683 where: short stacking energy: -454.384 Base-Backbone interact. energy: 4.892 local terms energy: -493.249740 where: bonds (distance) C4'-P energy: -85.257 bonds (distance) P-C4' energy: -85.160 flat angles C4'-P-C4' energy: -103.935 flat angles P-C4'-P energy: -70.763 tors. eta vs tors. theta energy: -148.134 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: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1483.941274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.941274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.941274 (E_RNA) where: Base-Base interactions energy: -1003.071 where: short stacking energy: -426.898 Base-Backbone interact. energy: -1.211 local terms energy: -479.659489 where: bonds (distance) C4'-P energy: -85.110 bonds (distance) P-C4' energy: -88.287 flat angles C4'-P-C4' energy: -95.684 flat angles P-C4'-P energy: -68.842 tors. eta vs tors. theta energy: -141.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1419.272400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.272400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.272400 (E_RNA) where: Base-Base interactions energy: -998.788 where: short stacking energy: -390.227 Base-Backbone interact. energy: -3.314 local terms energy: -417.169972 where: bonds (distance) C4'-P energy: -77.072 bonds (distance) P-C4' energy: -75.312 flat angles C4'-P-C4' energy: -91.666 flat angles P-C4'-P energy: -52.584 tors. eta vs tors. theta energy: -120.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1382.332663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.332663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.332663 (E_RNA) where: Base-Base interactions energy: -978.019 where: short stacking energy: -397.523 Base-Backbone interact. energy: -1.982 local terms energy: -402.331504 where: bonds (distance) C4'-P energy: -85.923 bonds (distance) P-C4' energy: -69.547 flat angles C4'-P-C4' energy: -87.203 flat angles P-C4'-P energy: -58.502 tors. eta vs tors. theta energy: -101.156 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: 3 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1260.432378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.432378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.432378 (E_RNA) where: Base-Base interactions energy: -840.025 where: short stacking energy: -377.269 Base-Backbone interact. energy: 0.163 local terms energy: -420.570533 where: bonds (distance) C4'-P energy: -87.206 bonds (distance) P-C4' energy: -74.213 flat angles C4'-P-C4' energy: -99.529 flat angles P-C4'-P energy: -57.177 tors. eta vs tors. theta energy: -102.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1022.868033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.868033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.868033 (E_RNA) where: Base-Base interactions energy: -661.995 where: short stacking energy: -307.825 Base-Backbone interact. energy: -0.659 local terms energy: -360.214206 where: bonds (distance) C4'-P energy: -77.160 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -92.443 flat angles P-C4'-P energy: -51.529 tors. eta vs tors. theta energy: -74.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -718.542290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.542290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.542290 (E_RNA) where: Base-Base interactions energy: -398.133 where: short stacking energy: -205.761 Base-Backbone interact. energy: -0.776 local terms energy: -319.633190 where: bonds (distance) C4'-P energy: -80.560 bonds (distance) P-C4' energy: -87.249 flat angles C4'-P-C4' energy: -75.553 flat angles P-C4'-P energy: -45.078 tors. eta vs tors. theta energy: -31.193 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: 411 Temperature: 1.300000 Total energy: -590.640685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.640685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.640685 (E_RNA) where: Base-Base interactions energy: -310.612 where: short stacking energy: -164.940 Base-Backbone interact. energy: -0.425 local terms energy: -279.603152 where: bonds (distance) C4'-P energy: -60.649 bonds (distance) P-C4' energy: -77.693 flat angles C4'-P-C4' energy: -77.768 flat angles P-C4'-P energy: -50.577 tors. eta vs tors. theta energy: -12.916 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: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -523.917551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.917551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.917551 (E_RNA) where: Base-Base interactions energy: -266.680 where: short stacking energy: -144.564 Base-Backbone interact. energy: 3.273 local terms energy: -260.510861 where: bonds (distance) C4'-P energy: -72.633 bonds (distance) P-C4' energy: -81.092 flat angles C4'-P-C4' energy: -62.068 flat angles P-C4'-P energy: -42.071 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1610.055579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.055579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.055579 (E_RNA) where: Base-Base interactions energy: -1088.622 where: short stacking energy: -474.477 Base-Backbone interact. energy: -0.846 local terms energy: -520.588105 where: bonds (distance) C4'-P energy: -84.655 bonds (distance) P-C4' energy: -99.001 flat angles C4'-P-C4' energy: -109.144 flat angles P-C4'-P energy: -73.157 tors. eta vs tors. theta energy: -154.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1562.567386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.567386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.567386 (E_RNA) where: Base-Base interactions energy: -1069.158 where: short stacking energy: -442.334 Base-Backbone interact. energy: -2.193 local terms energy: -491.216275 where: bonds (distance) C4'-P energy: -89.009 bonds (distance) P-C4' energy: -89.901 flat angles C4'-P-C4' energy: -106.688 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -130.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1535.131753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.131753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.131753 (E_RNA) where: Base-Base interactions energy: -1030.878 where: short stacking energy: -445.224 Base-Backbone interact. energy: -1.136 local terms energy: -503.117194 where: bonds (distance) C4'-P energy: -95.345 bonds (distance) P-C4' energy: -93.175 flat angles C4'-P-C4' energy: -97.248 flat angles P-C4'-P energy: -70.264 tors. eta vs tors. theta energy: -147.085 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: 8 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1442.608812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.608812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.608812 (E_RNA) where: Base-Base interactions energy: -984.677 where: short stacking energy: -407.013 Base-Backbone interact. energy: -0.445 local terms energy: -457.486559 where: bonds (distance) C4'-P energy: -90.864 bonds (distance) P-C4' energy: -78.698 flat angles C4'-P-C4' energy: -93.963 flat angles P-C4'-P energy: -62.296 tors. eta vs tors. theta energy: -131.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1423.755433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.755433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.755433 (E_RNA) where: Base-Base interactions energy: -986.560 where: short stacking energy: -391.707 Base-Backbone interact. energy: -3.317 local terms energy: -433.878429 where: bonds (distance) C4'-P energy: -99.014 bonds (distance) P-C4' energy: -75.489 flat angles C4'-P-C4' energy: -84.626 flat angles P-C4'-P energy: -58.038 tors. eta vs tors. theta energy: -116.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1261.589027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.589027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.589027 (E_RNA) where: Base-Base interactions energy: -825.066 where: short stacking energy: -363.029 Base-Backbone interact. energy: -3.741 local terms energy: -432.781633 where: bonds (distance) C4'-P energy: -78.357 bonds (distance) P-C4' energy: -81.197 flat angles C4'-P-C4' energy: -96.233 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -114.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -979.314349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.314349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.314349 (E_RNA) where: Base-Base interactions energy: -634.516 where: short stacking energy: -297.916 Base-Backbone interact. energy: 0.587 local terms energy: -345.385139 where: bonds (distance) C4'-P energy: -66.659 bonds (distance) P-C4' energy: -88.261 flat angles C4'-P-C4' energy: -79.494 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: -68.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -737.954746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.954746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.954746 (E_RNA) where: Base-Base interactions energy: -414.664 where: short stacking energy: -208.497 Base-Backbone interact. energy: -0.742 local terms energy: -322.548632 where: bonds (distance) C4'-P energy: -77.514 bonds (distance) P-C4' energy: -83.438 flat angles C4'-P-C4' energy: -72.807 flat angles P-C4'-P energy: -55.460 tors. eta vs tors. theta energy: -33.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -564.386837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.386837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.386837 (E_RNA) where: Base-Base interactions energy: -307.301 where: short stacking energy: -159.574 Base-Backbone interact. energy: -2.988 local terms energy: -254.097735 where: bonds (distance) C4'-P energy: -63.057 bonds (distance) P-C4' energy: -66.501 flat angles C4'-P-C4' energy: -69.971 flat angles P-C4'-P energy: -47.982 tors. eta vs tors. theta energy: -6.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -532.314072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.314072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.314072 (E_RNA) where: Base-Base interactions energy: -261.055 where: short stacking energy: -161.393 Base-Backbone interact. energy: -0.617 local terms energy: -270.642709 where: bonds (distance) C4'-P energy: -68.460 bonds (distance) P-C4' energy: -85.451 flat angles C4'-P-C4' energy: -71.008 flat angles P-C4'-P energy: -37.255 tors. eta vs tors. theta energy: -8.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1616.448229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.448229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.448229 (E_RNA) where: Base-Base interactions energy: -1108.272 where: short stacking energy: -475.489 Base-Backbone interact. energy: -1.357 local terms energy: -506.818495 where: bonds (distance) C4'-P energy: -85.145 bonds (distance) P-C4' energy: -87.842 flat angles C4'-P-C4' energy: -109.728 flat angles P-C4'-P energy: -73.816 tors. eta vs tors. theta energy: -150.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1575.032291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.032291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.032291 (E_RNA) where: Base-Base interactions energy: -1078.718 where: short stacking energy: -474.644 Base-Backbone interact. energy: -1.606 local terms energy: -494.707648 where: bonds (distance) C4'-P energy: -71.427 bonds (distance) P-C4' energy: -97.325 flat angles C4'-P-C4' energy: -104.004 flat angles P-C4'-P energy: -68.318 tors. eta vs tors. theta energy: -153.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1558.910568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.910568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.910568 (E_RNA) where: Base-Base interactions energy: -1092.665 where: short stacking energy: -466.189 Base-Backbone interact. energy: -3.077 local terms energy: -463.168893 where: bonds (distance) C4'-P energy: -82.322 bonds (distance) P-C4' energy: -78.707 flat angles C4'-P-C4' energy: -98.638 flat angles P-C4'-P energy: -57.901 tors. eta vs tors. theta energy: -145.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1450.607361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.607361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.607361 (E_RNA) where: Base-Base interactions energy: -1020.752 where: short stacking energy: -416.103 Base-Backbone interact. energy: 4.616 local terms energy: -434.470991 where: bonds (distance) C4'-P energy: -85.659 bonds (distance) P-C4' energy: -86.059 flat angles C4'-P-C4' energy: -91.574 flat angles P-C4'-P energy: -55.219 tors. eta vs tors. theta energy: -115.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1390.681213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.681213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.681213 (E_RNA) where: Base-Base interactions energy: -965.932 where: short stacking energy: -376.170 Base-Backbone interact. energy: -3.847 local terms energy: -420.902632 where: bonds (distance) C4'-P energy: -79.610 bonds (distance) P-C4' energy: -88.844 flat angles C4'-P-C4' energy: -91.351 flat angles P-C4'-P energy: -52.666 tors. eta vs tors. theta energy: -108.432 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: 3 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1269.472631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.472631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.472631 (E_RNA) where: Base-Base interactions energy: -859.513 where: short stacking energy: -379.634 Base-Backbone interact. energy: 4.665 local terms energy: -414.624534 where: bonds (distance) C4'-P energy: -77.382 bonds (distance) P-C4' energy: -70.603 flat angles C4'-P-C4' energy: -102.805 flat angles P-C4'-P energy: -54.738 tors. eta vs tors. theta energy: -109.096 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: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1010.562390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.562390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.562390 (E_RNA) where: Base-Base interactions energy: -651.450 where: short stacking energy: -280.376 Base-Backbone interact. energy: -0.322 local terms energy: -358.791199 where: bonds (distance) C4'-P energy: -64.362 bonds (distance) P-C4' energy: -73.047 flat angles C4'-P-C4' energy: -99.433 flat angles P-C4'-P energy: -49.440 tors. eta vs tors. theta energy: -72.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -681.209766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.209766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.209766 (E_RNA) where: Base-Base interactions energy: -407.864 where: short stacking energy: -194.938 Base-Backbone interact. energy: -0.490 local terms energy: -272.855540 where: bonds (distance) C4'-P energy: -73.713 bonds (distance) P-C4' energy: -71.109 flat angles C4'-P-C4' energy: -63.662 flat angles P-C4'-P energy: -40.999 tors. eta vs tors. theta energy: -23.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -550.152778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.152778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.152778 (E_RNA) where: Base-Base interactions energy: -276.085 where: short stacking energy: -154.203 Base-Backbone interact. energy: 2.921 local terms energy: -276.988832 where: bonds (distance) C4'-P energy: -74.884 bonds (distance) P-C4' energy: -77.499 flat angles C4'-P-C4' energy: -62.484 flat angles P-C4'-P energy: -55.331 tors. eta vs tors. theta energy: -6.791 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: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -539.028241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.028241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.028241 (E_RNA) where: Base-Base interactions energy: -293.746 where: short stacking energy: -158.407 Base-Backbone interact. energy: -2.223 local terms energy: -243.059607 where: bonds (distance) C4'-P energy: -76.556 bonds (distance) P-C4' energy: -64.503 flat angles C4'-P-C4' energy: -61.140 flat angles P-C4'-P energy: -42.769 tors. eta vs tors. theta energy: 1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1602.954660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.954660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.954660 (E_RNA) where: Base-Base interactions energy: -1087.840 where: short stacking energy: -463.814 Base-Backbone interact. energy: -2.553 local terms energy: -512.562346 where: bonds (distance) C4'-P energy: -88.042 bonds (distance) P-C4' energy: -93.399 flat angles C4'-P-C4' energy: -111.921 flat angles P-C4'-P energy: -77.929 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: 2, replica: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1552.883309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.883309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.883309 (E_RNA) where: Base-Base interactions energy: -1072.899 where: short stacking energy: -469.272 Base-Backbone interact. energy: -1.163 local terms energy: -478.822046 where: bonds (distance) C4'-P energy: -89.868 bonds (distance) P-C4' energy: -75.349 flat angles C4'-P-C4' energy: -105.160 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: -139.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1476.828592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.828592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.828592 (E_RNA) where: Base-Base interactions energy: -1011.286 where: short stacking energy: -424.652 Base-Backbone interact. energy: -2.401 local terms energy: -463.141192 where: bonds (distance) C4'-P energy: -87.891 bonds (distance) P-C4' energy: -81.391 flat angles C4'-P-C4' energy: -100.224 flat angles P-C4'-P energy: -69.472 tors. eta vs tors. theta energy: -124.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1502.597825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.597825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.597825 (E_RNA) where: Base-Base interactions energy: -1037.936 where: short stacking energy: -422.778 Base-Backbone interact. energy: -0.175 local terms energy: -464.486827 where: bonds (distance) C4'-P energy: -88.587 bonds (distance) P-C4' energy: -76.092 flat angles C4'-P-C4' energy: -94.524 flat angles P-C4'-P energy: -71.914 tors. eta vs tors. theta energy: -133.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1366.024589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.024589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.024589 (E_RNA) where: Base-Base interactions energy: -929.318 where: short stacking energy: -397.290 Base-Backbone interact. energy: -0.724 local terms energy: -435.982919 where: bonds (distance) C4'-P energy: -82.728 bonds (distance) P-C4' energy: -82.454 flat angles C4'-P-C4' energy: -96.851 flat angles P-C4'-P energy: -49.569 tors. eta vs tors. theta energy: -124.381 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: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1267.703644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.703644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.703644 (E_RNA) where: Base-Base interactions energy: -846.403 where: short stacking energy: -358.366 Base-Backbone interact. energy: 1.015 local terms energy: -422.315611 where: bonds (distance) C4'-P energy: -92.612 bonds (distance) P-C4' energy: -71.347 flat angles C4'-P-C4' energy: -93.834 flat angles P-C4'-P energy: -52.750 tors. eta vs tors. theta energy: -111.773 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: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1033.220724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.220724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.220724 (E_RNA) where: Base-Base interactions energy: -666.497 where: short stacking energy: -281.025 Base-Backbone interact. energy: -0.820 local terms energy: -365.903546 where: bonds (distance) C4'-P energy: -83.614 bonds (distance) P-C4' energy: -80.528 flat angles C4'-P-C4' energy: -83.190 flat angles P-C4'-P energy: -53.715 tors. eta vs tors. theta energy: -64.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -768.829985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.829985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.829985 (E_RNA) where: Base-Base interactions energy: -448.982 where: short stacking energy: -215.270 Base-Backbone interact. energy: -1.393 local terms energy: -318.454988 where: bonds (distance) C4'-P energy: -65.489 bonds (distance) P-C4' energy: -73.542 flat angles C4'-P-C4' energy: -74.497 flat angles P-C4'-P energy: -63.258 tors. eta vs tors. theta energy: -41.670 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: 9, replica: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -614.567203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.567203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.567203 (E_RNA) where: Base-Base interactions energy: -305.447 where: short stacking energy: -155.121 Base-Backbone interact. energy: -1.356 local terms energy: -307.764710 where: bonds (distance) C4'-P energy: -76.727 bonds (distance) P-C4' energy: -78.652 flat angles C4'-P-C4' energy: -74.041 flat angles P-C4'-P energy: -48.078 tors. eta vs tors. theta energy: -30.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -509.795369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.795369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.795369 (E_RNA) where: Base-Base interactions energy: -250.243 where: short stacking energy: -150.955 Base-Backbone interact. energy: 1.629 local terms energy: -261.180864 where: bonds (distance) C4'-P energy: -64.290 bonds (distance) P-C4' energy: -83.215 flat angles C4'-P-C4' energy: -66.535 flat angles P-C4'-P energy: -41.197 tors. eta vs tors. theta energy: -5.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1616.470476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.470476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.470476 (E_RNA) where: Base-Base interactions energy: -1117.116 where: short stacking energy: -460.477 Base-Backbone interact. energy: -1.600 local terms energy: -497.754771 where: bonds (distance) C4'-P energy: -81.559 bonds (distance) P-C4' energy: -99.581 flat angles C4'-P-C4' energy: -103.925 flat angles P-C4'-P energy: -68.007 tors. eta vs tors. theta energy: -144.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1558.206943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.206943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.206943 (E_RNA) where: Base-Base interactions energy: -1063.270 where: short stacking energy: -470.974 Base-Backbone interact. energy: -0.882 local terms energy: -494.055441 where: bonds (distance) C4'-P energy: -93.978 bonds (distance) P-C4' energy: -82.089 flat angles C4'-P-C4' energy: -107.566 flat angles P-C4'-P energy: -67.204 tors. eta vs tors. theta energy: -143.219 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: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1459.510623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.510623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.510623 (E_RNA) where: Base-Base interactions energy: -994.651 where: short stacking energy: -406.235 Base-Backbone interact. energy: -2.466 local terms energy: -462.394114 where: bonds (distance) C4'-P energy: -87.249 bonds (distance) P-C4' energy: -84.493 flat angles C4'-P-C4' energy: -105.324 flat angles P-C4'-P energy: -53.667 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: 4, replica: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1500.934741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.934741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.934741 (E_RNA) where: Base-Base interactions energy: -1028.379 where: short stacking energy: -437.512 Base-Backbone interact. energy: -1.940 local terms energy: -470.615198 where: bonds (distance) C4'-P energy: -77.515 bonds (distance) P-C4' energy: -86.002 flat angles C4'-P-C4' energy: -103.574 flat angles P-C4'-P energy: -66.158 tors. eta vs tors. theta energy: -137.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1371.587083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.587083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.587083 (E_RNA) where: Base-Base interactions energy: -943.127 where: short stacking energy: -389.743 Base-Backbone interact. energy: -3.043 local terms energy: -425.417280 where: bonds (distance) C4'-P energy: -86.886 bonds (distance) P-C4' energy: -84.642 flat angles C4'-P-C4' energy: -96.763 flat angles P-C4'-P energy: -49.382 tors. eta vs tors. theta energy: -107.744 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: 6, replica: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1275.105506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.105506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.105506 (E_RNA) where: Base-Base interactions energy: -859.616 where: short stacking energy: -355.530 Base-Backbone interact. energy: -1.665 local terms energy: -413.824788 where: bonds (distance) C4'-P energy: -79.442 bonds (distance) P-C4' energy: -86.612 flat angles C4'-P-C4' energy: -88.312 flat angles P-C4'-P energy: -53.309 tors. eta vs tors. theta energy: -106.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1065.761845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.761845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.761845 (E_RNA) where: Base-Base interactions energy: -691.401 where: short stacking energy: -300.295 Base-Backbone interact. energy: 1.406 local terms energy: -375.767253 where: bonds (distance) C4'-P energy: -75.035 bonds (distance) P-C4' energy: -85.999 flat angles C4'-P-C4' energy: -87.769 flat angles P-C4'-P energy: -46.146 tors. eta vs tors. theta energy: -80.819 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: 8, replica: 7 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -749.241740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.241740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.241740 (E_RNA) where: Base-Base interactions energy: -429.646 where: short stacking energy: -190.980 Base-Backbone interact. energy: -4.691 local terms energy: -314.905085 where: bonds (distance) C4'-P energy: -73.434 bonds (distance) P-C4' energy: -81.242 flat angles C4'-P-C4' energy: -75.412 flat angles P-C4'-P energy: -53.044 tors. eta vs tors. theta energy: -31.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -607.037881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.037881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.037881 (E_RNA) where: Base-Base interactions energy: -334.812 where: short stacking energy: -177.444 Base-Backbone interact. energy: -0.107 local terms energy: -272.118726 where: bonds (distance) C4'-P energy: -66.598 bonds (distance) P-C4' energy: -83.399 flat angles C4'-P-C4' energy: -63.205 flat angles P-C4'-P energy: -40.252 tors. eta vs tors. theta energy: -18.665 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: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -512.581171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.581171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.581171 (E_RNA) where: Base-Base interactions energy: -250.663 where: short stacking energy: -136.583 Base-Backbone interact. energy: -0.369 local terms energy: -261.549038 where: bonds (distance) C4'-P energy: -67.664 bonds (distance) P-C4' energy: -81.154 flat angles C4'-P-C4' energy: -64.798 flat angles P-C4'-P energy: -48.345 tors. eta vs tors. theta energy: 0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1582.847200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.847200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.847200 (E_RNA) where: Base-Base interactions energy: -1091.081 where: short stacking energy: -451.634 Base-Backbone interact. energy: -1.961 local terms energy: -489.804427 where: bonds (distance) C4'-P energy: -91.342 bonds (distance) P-C4' energy: -88.160 flat angles C4'-P-C4' energy: -103.100 flat angles P-C4'-P energy: -68.248 tors. eta vs tors. theta energy: -138.955 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: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1555.946952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.946952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.946952 (E_RNA) where: Base-Base interactions energy: -1073.137 where: short stacking energy: -466.433 Base-Backbone interact. energy: -0.323 local terms energy: -482.486879 where: bonds (distance) C4'-P energy: -81.741 bonds (distance) P-C4' energy: -81.997 flat angles C4'-P-C4' energy: -105.125 flat angles P-C4'-P energy: -69.700 tors. eta vs tors. theta energy: -143.924 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: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1520.895774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.895774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.895774 (E_RNA) where: Base-Base interactions energy: -1044.665 where: short stacking energy: -422.884 Base-Backbone interact. energy: 0.659 local terms energy: -476.889724 where: bonds (distance) C4'-P energy: -84.757 bonds (distance) P-C4' energy: -94.628 flat angles C4'-P-C4' energy: -95.135 flat angles P-C4'-P energy: -71.327 tors. eta vs tors. theta energy: -131.043 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: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1437.651749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.651749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.651749 (E_RNA) where: Base-Base interactions energy: -998.442 where: short stacking energy: -414.449 Base-Backbone interact. energy: -2.816 local terms energy: -436.393669 where: bonds (distance) C4'-P energy: -73.610 bonds (distance) P-C4' energy: -79.468 flat angles C4'-P-C4' energy: -96.595 flat angles P-C4'-P energy: -65.755 tors. eta vs tors. theta energy: -120.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1386.007355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.007355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.007355 (E_RNA) where: Base-Base interactions energy: -938.857 where: short stacking energy: -380.916 Base-Backbone interact. energy: -2.998 local terms energy: -444.152034 where: bonds (distance) C4'-P energy: -88.817 bonds (distance) P-C4' energy: -86.673 flat angles C4'-P-C4' energy: -93.741 flat angles P-C4'-P energy: -66.747 tors. eta vs tors. theta energy: -108.173 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: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1230.864861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.864861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.864861 (E_RNA) where: Base-Base interactions energy: -826.928 where: short stacking energy: -347.030 Base-Backbone interact. energy: -0.659 local terms energy: -403.277865 where: bonds (distance) C4'-P energy: -77.764 bonds (distance) P-C4' energy: -66.669 flat angles C4'-P-C4' energy: -89.654 flat angles P-C4'-P energy: -62.387 tors. eta vs tors. theta energy: -106.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1074.102831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.102831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.102831 (E_RNA) where: Base-Base interactions energy: -712.248 where: short stacking energy: -310.995 Base-Backbone interact. energy: 0.271 local terms energy: -362.125801 where: bonds (distance) C4'-P energy: -69.674 bonds (distance) P-C4' energy: -75.861 flat angles C4'-P-C4' energy: -82.424 flat angles P-C4'-P energy: -52.449 tors. eta vs tors. theta energy: -81.718 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: 8, replica: 7 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -714.679227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.679227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.679227 (E_RNA) where: Base-Base interactions energy: -402.728 where: short stacking energy: -210.771 Base-Backbone interact. energy: -2.016 local terms energy: -309.935568 where: bonds (distance) C4'-P energy: -79.558 bonds (distance) P-C4' energy: -79.944 flat angles C4'-P-C4' energy: -74.420 flat angles P-C4'-P energy: -54.044 tors. eta vs tors. theta energy: -21.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -602.161031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.161031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.161031 (E_RNA) where: Base-Base interactions energy: -318.233 where: short stacking energy: -152.495 Base-Backbone interact. energy: 1.543 local terms energy: -285.471249 where: bonds (distance) C4'-P energy: -84.270 bonds (distance) P-C4' energy: -74.117 flat angles C4'-P-C4' energy: -68.674 flat angles P-C4'-P energy: -52.867 tors. eta vs tors. theta energy: -5.543 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: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -525.743447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.743447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.743447 (E_RNA) where: Base-Base interactions energy: -296.188 where: short stacking energy: -164.012 Base-Backbone interact. energy: 1.470 local terms energy: -231.025586 where: bonds (distance) C4'-P energy: -66.986 bonds (distance) P-C4' energy: -60.376 flat angles C4'-P-C4' energy: -60.936 flat angles P-C4'-P energy: -44.584 tors. eta vs tors. theta energy: 1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1594.091994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.091994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.091994 (E_RNA) where: Base-Base interactions energy: -1099.632 where: short stacking energy: -472.402 Base-Backbone interact. energy: -0.497 local terms energy: -493.963480 where: bonds (distance) C4'-P energy: -92.920 bonds (distance) P-C4' energy: -90.548 flat angles C4'-P-C4' energy: -96.552 flat angles P-C4'-P energy: -75.770 tors. eta vs tors. theta energy: -138.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1582.502118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.502118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.502118 (E_RNA) where: Base-Base interactions energy: -1093.235 where: short stacking energy: -478.651 Base-Backbone interact. energy: 0.259 local terms energy: -489.526659 where: bonds (distance) C4'-P energy: -90.342 bonds (distance) P-C4' energy: -85.686 flat angles C4'-P-C4' energy: -100.594 flat angles P-C4'-P energy: -72.240 tors. eta vs tors. theta energy: -140.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1541.228272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.228272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.228272 (E_RNA) where: Base-Base interactions energy: -1070.520 where: short stacking energy: -444.667 Base-Backbone interact. energy: -0.790 local terms energy: -469.918188 where: bonds (distance) C4'-P energy: -72.825 bonds (distance) P-C4' energy: -92.588 flat angles C4'-P-C4' energy: -101.410 flat angles P-C4'-P energy: -73.717 tors. eta vs tors. theta energy: -129.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1453.833110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.833110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.833110 (E_RNA) where: Base-Base interactions energy: -992.915 where: short stacking energy: -399.595 Base-Backbone interact. energy: -0.948 local terms energy: -459.969929 where: bonds (distance) C4'-P energy: -78.117 bonds (distance) P-C4' energy: -87.221 flat angles C4'-P-C4' energy: -94.787 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -125.213 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: 417 Temperature: 1.100000 Total energy: -1356.974390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.974390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.974390 (E_RNA) where: Base-Base interactions energy: -946.306 where: short stacking energy: -376.281 Base-Backbone interact. energy: -1.546 local terms energy: -409.123276 where: bonds (distance) C4'-P energy: -88.294 bonds (distance) P-C4' energy: -77.687 flat angles C4'-P-C4' energy: -84.346 flat angles P-C4'-P energy: -49.244 tors. eta vs tors. theta energy: -109.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1258.364197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.364197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.364197 (E_RNA) where: Base-Base interactions energy: -850.494 where: short stacking energy: -362.460 Base-Backbone interact. energy: 0.406 local terms energy: -408.275755 where: bonds (distance) C4'-P energy: -78.303 bonds (distance) P-C4' energy: -78.121 flat angles C4'-P-C4' energy: -94.277 flat angles P-C4'-P energy: -55.032 tors. eta vs tors. theta energy: -102.543 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: 6 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1090.749818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.749818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.749818 (E_RNA) where: Base-Base interactions energy: -714.413 where: short stacking energy: -308.043 Base-Backbone interact. energy: 0.658 local terms energy: -376.994942 where: bonds (distance) C4'-P energy: -60.659 bonds (distance) P-C4' energy: -92.678 flat angles C4'-P-C4' energy: -87.198 flat angles P-C4'-P energy: -60.579 tors. eta vs tors. theta energy: -75.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -634.999123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.999123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.999123 (E_RNA) where: Base-Base interactions energy: -327.615 where: short stacking energy: -174.152 Base-Backbone interact. energy: -1.090 local terms energy: -306.293734 where: bonds (distance) C4'-P energy: -86.937 bonds (distance) P-C4' energy: -87.786 flat angles C4'-P-C4' energy: -67.593 flat angles P-C4'-P energy: -46.190 tors. eta vs tors. theta energy: -17.788 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: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -648.011828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.011828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.011828 (E_RNA) where: Base-Base interactions energy: -358.235 where: short stacking energy: -179.048 Base-Backbone interact. energy: 1.965 local terms energy: -291.741776 where: bonds (distance) C4'-P energy: -73.872 bonds (distance) P-C4' energy: -76.159 flat angles C4'-P-C4' energy: -67.350 flat angles P-C4'-P energy: -52.200 tors. eta vs tors. theta energy: -22.161 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: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -504.737922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.737922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.737922 (E_RNA) where: Base-Base interactions energy: -234.164 where: short stacking energy: -138.064 Base-Backbone interact. energy: -1.883 local terms energy: -268.691155 where: bonds (distance) C4'-P energy: -87.022 bonds (distance) P-C4' energy: -75.585 flat angles C4'-P-C4' energy: -61.549 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: 0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1644.218594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.218594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.218594 (E_RNA) where: Base-Base interactions energy: -1117.991 where: short stacking energy: -483.301 Base-Backbone interact. energy: 0.150 local terms energy: -526.377977 where: bonds (distance) C4'-P energy: -99.952 bonds (distance) P-C4' energy: -95.567 flat angles C4'-P-C4' energy: -103.660 flat angles P-C4'-P energy: -76.908 tors. eta vs tors. theta energy: -150.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1558.775566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.775566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.775566 (E_RNA) where: Base-Base interactions energy: -1079.328 where: short stacking energy: -443.486 Base-Backbone interact. energy: -1.335 local terms energy: -478.113254 where: bonds (distance) C4'-P energy: -77.961 bonds (distance) P-C4' energy: -86.184 flat angles C4'-P-C4' energy: -106.690 flat angles P-C4'-P energy: -76.458 tors. eta vs tors. theta energy: -130.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1543.186919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.186919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.186919 (E_RNA) where: Base-Base interactions energy: -1067.240 where: short stacking energy: -463.834 Base-Backbone interact. energy: -0.684 local terms energy: -475.262359 where: bonds (distance) C4'-P energy: -83.131 bonds (distance) P-C4' energy: -93.990 flat angles C4'-P-C4' energy: -103.383 flat angles P-C4'-P energy: -63.761 tors. eta vs tors. theta energy: -130.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1467.272142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.272142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.272142 (E_RNA) where: Base-Base interactions energy: -995.735 where: short stacking energy: -421.174 Base-Backbone interact. energy: -0.936 local terms energy: -470.600978 where: bonds (distance) C4'-P energy: -85.105 bonds (distance) P-C4' energy: -86.058 flat angles C4'-P-C4' energy: -101.792 flat angles P-C4'-P energy: -67.642 tors. eta vs tors. theta energy: -130.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1349.688628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.688628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.688628 (E_RNA) where: Base-Base interactions energy: -922.446 where: short stacking energy: -372.686 Base-Backbone interact. energy: -0.795 local terms energy: -426.447663 where: bonds (distance) C4'-P energy: -90.470 bonds (distance) P-C4' energy: -83.911 flat angles C4'-P-C4' energy: -86.034 flat angles P-C4'-P energy: -59.596 tors. eta vs tors. theta energy: -106.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1244.444739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.444739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.444739 (E_RNA) where: Base-Base interactions energy: -855.945 where: short stacking energy: -342.285 Base-Backbone interact. energy: -1.988 local terms energy: -386.511561 where: bonds (distance) C4'-P energy: -73.257 bonds (distance) P-C4' energy: -78.322 flat angles C4'-P-C4' energy: -86.118 flat angles P-C4'-P energy: -58.059 tors. eta vs tors. theta energy: -90.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1077.296742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.296742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.296742 (E_RNA) where: Base-Base interactions energy: -693.797 where: short stacking energy: -304.986 Base-Backbone interact. energy: 1.760 local terms energy: -385.259688 where: bonds (distance) C4'-P energy: -75.037 bonds (distance) P-C4' energy: -77.999 flat angles C4'-P-C4' energy: -85.162 flat angles P-C4'-P energy: -62.736 tors. eta vs tors. theta energy: -84.325 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: 418 Temperature: 1.250000 Total energy: -645.425674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.425674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.425674 (E_RNA) where: Base-Base interactions energy: -354.654 where: short stacking energy: -183.856 Base-Backbone interact. energy: -2.276 local terms energy: -288.495513 where: bonds (distance) C4'-P energy: -68.302 bonds (distance) P-C4' energy: -75.673 flat angles C4'-P-C4' energy: -71.454 flat angles P-C4'-P energy: -48.287 tors. eta vs tors. theta energy: -24.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -661.507643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.507643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.507643 (E_RNA) where: Base-Base interactions energy: -364.664 where: short stacking energy: -207.051 Base-Backbone interact. energy: -1.537 local terms energy: -295.306421 where: bonds (distance) C4'-P energy: -70.519 bonds (distance) P-C4' energy: -74.816 flat angles C4'-P-C4' energy: -78.536 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -24.310 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: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -463.502944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.502944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.502944 (E_RNA) where: Base-Base interactions energy: -212.942 where: short stacking energy: -120.348 Base-Backbone interact. energy: 2.272 local terms energy: -252.832414 where: bonds (distance) C4'-P energy: -71.718 bonds (distance) P-C4' energy: -81.056 flat angles C4'-P-C4' energy: -61.796 flat angles P-C4'-P energy: -41.717 tors. eta vs tors. theta energy: 3.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1624.214179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.214179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.214179 (E_RNA) where: Base-Base interactions energy: -1109.067 where: short stacking energy: -475.632 Base-Backbone interact. energy: -0.709 local terms energy: -514.437808 where: bonds (distance) C4'-P energy: -97.153 bonds (distance) P-C4' energy: -102.063 flat angles C4'-P-C4' energy: -102.546 flat angles P-C4'-P energy: -61.468 tors. eta vs tors. theta energy: -151.208 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: 2, replica: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1561.001951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.001951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.001951 (E_RNA) where: Base-Base interactions energy: -1061.431 where: short stacking energy: -437.628 Base-Backbone interact. energy: -3.649 local terms energy: -495.922425 where: bonds (distance) C4'-P energy: -88.542 bonds (distance) P-C4' energy: -98.780 flat angles C4'-P-C4' energy: -99.303 flat angles P-C4'-P energy: -78.798 tors. eta vs tors. theta energy: -130.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1527.040170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.040170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.040170 (E_RNA) where: Base-Base interactions energy: -1079.764 where: short stacking energy: -445.731 Base-Backbone interact. energy: 6.536 local terms energy: -453.811991 where: bonds (distance) C4'-P energy: -81.124 bonds (distance) P-C4' energy: -82.085 flat angles C4'-P-C4' energy: -100.868 flat angles P-C4'-P energy: -59.878 tors. eta vs tors. theta energy: -129.856 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: 4, replica: 8 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1433.435314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.435314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.435314 (E_RNA) where: Base-Base interactions energy: -978.230 where: short stacking energy: -408.350 Base-Backbone interact. energy: 2.017 local terms energy: -457.222447 where: bonds (distance) C4'-P energy: -80.526 bonds (distance) P-C4' energy: -82.201 flat angles C4'-P-C4' energy: -99.237 flat angles P-C4'-P energy: -72.689 tors. eta vs tors. theta energy: -122.569 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: 5, replica: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1323.760449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.760449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.760449 (E_RNA) where: Base-Base interactions energy: -900.488 where: short stacking energy: -348.795 Base-Backbone interact. energy: 2.211 local terms energy: -425.483239 where: bonds (distance) C4'-P energy: -71.264 bonds (distance) P-C4' energy: -90.201 flat angles C4'-P-C4' energy: -91.878 flat angles P-C4'-P energy: -69.247 tors. eta vs tors. theta energy: -102.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1234.027963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.027963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.027963 (E_RNA) where: Base-Base interactions energy: -859.683 where: short stacking energy: -332.014 Base-Backbone interact. energy: -2.815 local terms energy: -371.529851 where: bonds (distance) C4'-P energy: -65.705 bonds (distance) P-C4' energy: -82.022 flat angles C4'-P-C4' energy: -84.257 flat angles P-C4'-P energy: -53.450 tors. eta vs tors. theta energy: -86.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1092.390530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.390530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.390530 (E_RNA) where: Base-Base interactions energy: -702.883 where: short stacking energy: -337.248 Base-Backbone interact. energy: -0.717 local terms energy: -388.790387 where: bonds (distance) C4'-P energy: -83.466 bonds (distance) P-C4' energy: -72.913 flat angles C4'-P-C4' energy: -90.249 flat angles P-C4'-P energy: -55.098 tors. eta vs tors. theta energy: -87.064 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: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -675.513218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.513218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.513218 (E_RNA) where: Base-Base interactions energy: -374.993 where: short stacking energy: -183.200 Base-Backbone interact. energy: 1.920 local terms energy: -302.439631 where: bonds (distance) C4'-P energy: -84.142 bonds (distance) P-C4' energy: -75.405 flat angles C4'-P-C4' energy: -69.517 flat angles P-C4'-P energy: -55.872 tors. eta vs tors. theta energy: -17.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -588.781540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.781540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.781540 (E_RNA) where: Base-Base interactions energy: -327.154 where: short stacking energy: -161.709 Base-Backbone interact. energy: -1.328 local terms energy: -260.299912 where: bonds (distance) C4'-P energy: -67.666 bonds (distance) P-C4' energy: -64.663 flat angles C4'-P-C4' energy: -67.548 flat angles P-C4'-P energy: -44.641 tors. eta vs tors. theta energy: -15.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -507.346889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.346889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.346889 (E_RNA) where: Base-Base interactions energy: -226.907 where: short stacking energy: -128.721 Base-Backbone interact. energy: 0.417 local terms energy: -280.856903 where: bonds (distance) C4'-P energy: -69.159 bonds (distance) P-C4' energy: -80.502 flat angles C4'-P-C4' energy: -76.263 flat angles P-C4'-P energy: -47.201 tors. eta vs tors. theta energy: -7.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1613.194848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.194848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.194848 (E_RNA) where: Base-Base interactions energy: -1108.377 where: short stacking energy: -506.926 Base-Backbone interact. energy: 0.660 local terms energy: -505.477256 where: bonds (distance) C4'-P energy: -83.866 bonds (distance) P-C4' energy: -82.871 flat angles C4'-P-C4' energy: -107.596 flat angles P-C4'-P energy: -81.693 tors. eta vs tors. theta energy: -149.452 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: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1576.555945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.555945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.555945 (E_RNA) where: Base-Base interactions energy: -1091.738 where: short stacking energy: -448.707 Base-Backbone interact. energy: -0.594 local terms energy: -484.224462 where: bonds (distance) C4'-P energy: -82.378 bonds (distance) P-C4' energy: -98.815 flat angles C4'-P-C4' energy: -98.661 flat angles P-C4'-P energy: -60.119 tors. eta vs tors. theta energy: -144.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1524.808480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.808480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.808480 (E_RNA) where: Base-Base interactions energy: -1043.512 where: short stacking energy: -423.249 Base-Backbone interact. energy: -1.797 local terms energy: -479.499946 where: bonds (distance) C4'-P energy: -92.122 bonds (distance) P-C4' energy: -79.532 flat angles C4'-P-C4' energy: -92.782 flat angles P-C4'-P energy: -72.042 tors. eta vs tors. theta energy: -143.022 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: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1430.394060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.394060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.394060 (E_RNA) where: Base-Base interactions energy: -985.604 where: short stacking energy: -398.099 Base-Backbone interact. energy: -1.615 local terms energy: -443.174915 where: bonds (distance) C4'-P energy: -75.264 bonds (distance) P-C4' energy: -86.671 flat angles C4'-P-C4' energy: -95.097 flat angles P-C4'-P energy: -66.903 tors. eta vs tors. theta energy: -119.239 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: 5, replica: 4 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1342.925714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.925714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.925714 (E_RNA) where: Base-Base interactions energy: -906.256 where: short stacking energy: -370.584 Base-Backbone interact. energy: -0.119 local terms energy: -436.550595 where: bonds (distance) C4'-P energy: -79.512 bonds (distance) P-C4' energy: -84.376 flat angles C4'-P-C4' energy: -102.103 flat angles P-C4'-P energy: -59.699 tors. eta vs tors. theta energy: -110.861 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: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1227.164987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.164987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.164987 (E_RNA) where: Base-Base interactions energy: -824.772 where: short stacking energy: -362.638 Base-Backbone interact. energy: 0.600 local terms energy: -402.992219 where: bonds (distance) C4'-P energy: -68.207 bonds (distance) P-C4' energy: -84.301 flat angles C4'-P-C4' energy: -87.564 flat angles P-C4'-P energy: -62.472 tors. eta vs tors. theta energy: -100.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1078.908656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.908656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.908656 (E_RNA) where: Base-Base interactions energy: -712.757 where: short stacking energy: -314.403 Base-Backbone interact. energy: 1.432 local terms energy: -367.583644 where: bonds (distance) C4'-P energy: -63.939 bonds (distance) P-C4' energy: -87.563 flat angles C4'-P-C4' energy: -87.602 flat angles P-C4'-P energy: -48.090 tors. eta vs tors. theta energy: -80.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -637.220783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.220783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.220783 (E_RNA) where: Base-Base interactions energy: -359.718 where: short stacking energy: -192.974 Base-Backbone interact. energy: 1.254 local terms energy: -278.756544 where: bonds (distance) C4'-P energy: -65.443 bonds (distance) P-C4' energy: -80.814 flat angles C4'-P-C4' energy: -67.331 flat angles P-C4'-P energy: -49.921 tors. eta vs tors. theta energy: -15.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -547.426690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.426690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.426690 (E_RNA) where: Base-Base interactions energy: -282.412 where: short stacking energy: -161.785 Base-Backbone interact. energy: -0.214 local terms energy: -264.800322 where: bonds (distance) C4'-P energy: -80.540 bonds (distance) P-C4' energy: -78.425 flat angles C4'-P-C4' energy: -66.042 flat angles P-C4'-P energy: -42.062 tors. eta vs tors. theta energy: 2.269 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: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -513.082822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.082822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.082822 (E_RNA) where: Base-Base interactions energy: -291.292 where: short stacking energy: -152.406 Base-Backbone interact. energy: 0.854 local terms energy: -222.643963 where: bonds (distance) C4'-P energy: -69.933 bonds (distance) P-C4' energy: -62.251 flat angles C4'-P-C4' energy: -60.830 flat angles P-C4'-P energy: -39.674 tors. eta vs tors. theta energy: 10.045 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: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1630.165939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.165939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.165939 (E_RNA) where: Base-Base interactions energy: -1091.515 where: short stacking energy: -484.684 Base-Backbone interact. energy: -1.102 local terms energy: -537.549339 where: bonds (distance) C4'-P energy: -96.982 bonds (distance) P-C4' energy: -96.253 flat angles C4'-P-C4' energy: -112.568 flat angles P-C4'-P energy: -81.970 tors. eta vs tors. theta energy: -149.776 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: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1577.175500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.175500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.175500 (E_RNA) where: Base-Base interactions energy: -1097.727 where: short stacking energy: -458.370 Base-Backbone interact. energy: -2.342 local terms energy: -477.106073 where: bonds (distance) C4'-P energy: -93.680 bonds (distance) P-C4' energy: -82.348 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -56.856 tors. eta vs tors. theta energy: -141.047 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: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1504.230811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.230811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.230811 (E_RNA) where: Base-Base interactions energy: -1034.405 where: short stacking energy: -418.623 Base-Backbone interact. energy: -3.930 local terms energy: -465.895427 where: bonds (distance) C4'-P energy: -76.607 bonds (distance) P-C4' energy: -87.499 flat angles C4'-P-C4' energy: -109.965 flat angles P-C4'-P energy: -66.756 tors. eta vs tors. theta energy: -125.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1435.618084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.618084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.618084 (E_RNA) where: Base-Base interactions energy: -947.190 where: short stacking energy: -393.844 Base-Backbone interact. energy: -2.474 local terms energy: -485.954736 where: bonds (distance) C4'-P energy: -94.400 bonds (distance) P-C4' energy: -106.822 flat angles C4'-P-C4' energy: -97.872 flat angles P-C4'-P energy: -66.465 tors. eta vs tors. theta energy: -120.394 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: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1340.876998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.876998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.876998 (E_RNA) where: Base-Base interactions energy: -909.138 where: short stacking energy: -363.699 Base-Backbone interact. energy: -1.786 local terms energy: -429.953603 where: bonds (distance) C4'-P energy: -78.946 bonds (distance) P-C4' energy: -77.481 flat angles C4'-P-C4' energy: -96.669 flat angles P-C4'-P energy: -59.071 tors. eta vs tors. theta energy: -117.787 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: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1233.313604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.313604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.313604 (E_RNA) where: Base-Base interactions energy: -810.140 where: short stacking energy: -352.620 Base-Backbone interact. energy: -1.273 local terms energy: -421.900215 where: bonds (distance) C4'-P energy: -77.287 bonds (distance) P-C4' energy: -84.426 flat angles C4'-P-C4' energy: -92.351 flat angles P-C4'-P energy: -63.157 tors. eta vs tors. theta energy: -104.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1005.883957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.883957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.883957 (E_RNA) where: Base-Base interactions energy: -655.374 where: short stacking energy: -277.260 Base-Backbone interact. energy: -5.427 local terms energy: -345.082439 where: bonds (distance) C4'-P energy: -62.108 bonds (distance) P-C4' energy: -87.229 flat angles C4'-P-C4' energy: -79.131 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -68.324 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: 8, replica: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -576.839189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.839189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.839189 (E_RNA) where: Base-Base interactions energy: -296.069 where: short stacking energy: -163.493 Base-Backbone interact. energy: -0.994 local terms energy: -279.776296 where: bonds (distance) C4'-P energy: -77.287 bonds (distance) P-C4' energy: -77.268 flat angles C4'-P-C4' energy: -72.880 flat angles P-C4'-P energy: -37.954 tors. eta vs tors. theta energy: -14.388 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: 421 Temperature: 1.300000 Total energy: -553.089501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.089501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.089501 (E_RNA) where: Base-Base interactions energy: -273.560 where: short stacking energy: -154.077 Base-Backbone interact. energy: -0.099 local terms energy: -279.430812 where: bonds (distance) C4'-P energy: -67.030 bonds (distance) P-C4' energy: -66.576 flat angles C4'-P-C4' energy: -86.616 flat angles P-C4'-P energy: -47.869 tors. eta vs tors. theta energy: -11.339 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: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -531.169580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.169580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.169580 (E_RNA) where: Base-Base interactions energy: -271.580 where: short stacking energy: -137.904 Base-Backbone interact. energy: -1.318 local terms energy: -258.271371 where: bonds (distance) C4'-P energy: -80.201 bonds (distance) P-C4' energy: -75.846 flat angles C4'-P-C4' energy: -47.062 flat angles P-C4'-P energy: -46.019 tors. eta vs tors. theta energy: -9.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1622.111665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.111665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.111665 (E_RNA) where: Base-Base interactions energy: -1098.015 where: short stacking energy: -472.567 Base-Backbone interact. energy: -0.307 local terms energy: -523.790234 where: bonds (distance) C4'-P energy: -100.202 bonds (distance) P-C4' energy: -95.900 flat angles C4'-P-C4' energy: -104.920 flat angles P-C4'-P energy: -75.468 tors. eta vs tors. theta energy: -147.301 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: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1576.178795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.178795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.178795 (E_RNA) where: Base-Base interactions energy: -1065.330 where: short stacking energy: -453.308 Base-Backbone interact. energy: -1.201 local terms energy: -509.647286 where: bonds (distance) C4'-P energy: -92.665 bonds (distance) P-C4' energy: -92.121 flat angles C4'-P-C4' energy: -102.034 flat angles P-C4'-P energy: -72.653 tors. eta vs tors. theta energy: -150.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1516.534185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.534185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.534185 (E_RNA) where: Base-Base interactions energy: -1050.112 where: short stacking energy: -448.869 Base-Backbone interact. energy: -0.328 local terms energy: -466.094314 where: bonds (distance) C4'-P energy: -88.402 bonds (distance) P-C4' energy: -89.447 flat angles C4'-P-C4' energy: -98.111 flat angles P-C4'-P energy: -57.498 tors. eta vs tors. theta energy: -132.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1442.715720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.715720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.715720 (E_RNA) where: Base-Base interactions energy: -996.896 where: short stacking energy: -403.085 Base-Backbone interact. energy: -2.567 local terms energy: -443.252855 where: bonds (distance) C4'-P energy: -87.476 bonds (distance) P-C4' energy: -79.896 flat angles C4'-P-C4' energy: -90.630 flat angles P-C4'-P energy: -62.648 tors. eta vs tors. theta energy: -122.603 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: 5, replica: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1361.629441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.629441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.629441 (E_RNA) where: Base-Base interactions energy: -951.228 where: short stacking energy: -361.105 Base-Backbone interact. energy: -0.568 local terms energy: -409.833768 where: bonds (distance) C4'-P energy: -61.304 bonds (distance) P-C4' energy: -82.176 flat angles C4'-P-C4' energy: -99.190 flat angles P-C4'-P energy: -70.952 tors. eta vs tors. theta energy: -96.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1284.891532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.891532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.891532 (E_RNA) where: Base-Base interactions energy: -857.965 where: short stacking energy: -373.492 Base-Backbone interact. energy: -2.798 local terms energy: -424.128189 where: bonds (distance) C4'-P energy: -93.498 bonds (distance) P-C4' energy: -74.147 flat angles C4'-P-C4' energy: -78.107 flat angles P-C4'-P energy: -60.364 tors. eta vs tors. theta energy: -118.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1031.896561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.896561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.896561 (E_RNA) where: Base-Base interactions energy: -679.401 where: short stacking energy: -303.915 Base-Backbone interact. energy: -0.162 local terms energy: -352.333656 where: bonds (distance) C4'-P energy: -67.247 bonds (distance) P-C4' energy: -82.382 flat angles C4'-P-C4' energy: -78.744 flat angles P-C4'-P energy: -52.693 tors. eta vs tors. theta energy: -71.267 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: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -564.458683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.458683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.458683 (E_RNA) where: Base-Base interactions energy: -302.299 where: short stacking energy: -189.335 Base-Backbone interact. energy: 11.303 local terms energy: -273.463130 where: bonds (distance) C4'-P energy: -79.597 bonds (distance) P-C4' energy: -63.423 flat angles C4'-P-C4' energy: -68.619 flat angles P-C4'-P energy: -45.182 tors. eta vs tors. theta energy: -16.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -576.710348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.710348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.710348 (E_RNA) where: Base-Base interactions energy: -286.859 where: short stacking energy: -163.744 Base-Backbone interact. energy: -0.348 local terms energy: -289.503592 where: bonds (distance) C4'-P energy: -72.472 bonds (distance) P-C4' energy: -84.539 flat angles C4'-P-C4' energy: -75.999 flat angles P-C4'-P energy: -42.795 tors. eta vs tors. theta energy: -13.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -522.192338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.192338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.192338 (E_RNA) where: Base-Base interactions energy: -266.620 where: short stacking energy: -133.341 Base-Backbone interact. energy: 2.383 local terms energy: -257.955715 where: bonds (distance) C4'-P energy: -76.699 bonds (distance) P-C4' energy: -76.523 flat angles C4'-P-C4' energy: -61.006 flat angles P-C4'-P energy: -47.188 tors. eta vs tors. theta energy: 3.460 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: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1635.052345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.052345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.052345 (E_RNA) where: Base-Base interactions energy: -1100.034 where: short stacking energy: -471.419 Base-Backbone interact. energy: -1.337 local terms energy: -533.681385 where: bonds (distance) C4'-P energy: -95.059 bonds (distance) P-C4' energy: -97.221 flat angles C4'-P-C4' energy: -109.465 flat angles P-C4'-P energy: -75.782 tors. eta vs tors. theta energy: -156.154 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: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1566.350080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.350080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.350080 (E_RNA) where: Base-Base interactions energy: -1077.069 where: short stacking energy: -440.250 Base-Backbone interact. energy: -0.621 local terms energy: -488.660402 where: bonds (distance) C4'-P energy: -79.885 bonds (distance) P-C4' energy: -93.265 flat angles C4'-P-C4' energy: -103.246 flat angles P-C4'-P energy: -70.816 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: 3, replica: 2 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1504.011910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.011910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.011910 (E_RNA) where: Base-Base interactions energy: -1049.827 where: short stacking energy: -449.140 Base-Backbone interact. energy: -2.395 local terms energy: -451.789985 where: bonds (distance) C4'-P energy: -83.810 bonds (distance) P-C4' energy: -75.765 flat angles C4'-P-C4' energy: -94.774 flat angles P-C4'-P energy: -65.274 tors. eta vs tors. theta energy: -132.167 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: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1430.480484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.480484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.480484 (E_RNA) where: Base-Base interactions energy: -986.472 where: short stacking energy: -401.253 Base-Backbone interact. energy: 0.434 local terms energy: -444.442457 where: bonds (distance) C4'-P energy: -85.374 bonds (distance) P-C4' energy: -82.525 flat angles C4'-P-C4' energy: -91.918 flat angles P-C4'-P energy: -68.831 tors. eta vs tors. theta energy: -115.795 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: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1357.334070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.334070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.334070 (E_RNA) where: Base-Base interactions energy: -941.508 where: short stacking energy: -365.560 Base-Backbone interact. energy: -1.244 local terms energy: -414.581261 where: bonds (distance) C4'-P energy: -85.554 bonds (distance) P-C4' energy: -79.997 flat angles C4'-P-C4' energy: -90.200 flat angles P-C4'-P energy: -56.735 tors. eta vs tors. theta energy: -102.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1262.591129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.591129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.591129 (E_RNA) where: Base-Base interactions energy: -865.374 where: short stacking energy: -356.159 Base-Backbone interact. energy: 1.283 local terms energy: -398.500351 where: bonds (distance) C4'-P energy: -74.883 bonds (distance) P-C4' energy: -75.199 flat angles C4'-P-C4' energy: -88.117 flat angles P-C4'-P energy: -43.844 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: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1017.838782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.838782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.838782 (E_RNA) where: Base-Base interactions energy: -670.513 where: short stacking energy: -260.028 Base-Backbone interact. energy: 0.804 local terms energy: -348.129505 where: bonds (distance) C4'-P energy: -58.120 bonds (distance) P-C4' energy: -80.170 flat angles C4'-P-C4' energy: -76.591 flat angles P-C4'-P energy: -53.902 tors. eta vs tors. theta energy: -79.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -592.248910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.248910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.248910 (E_RNA) where: Base-Base interactions energy: -295.617 where: short stacking energy: -155.028 Base-Backbone interact. energy: 4.820 local terms energy: -301.451447 where: bonds (distance) C4'-P energy: -69.758 bonds (distance) P-C4' energy: -93.871 flat angles C4'-P-C4' energy: -74.771 flat angles P-C4'-P energy: -42.607 tors. eta vs tors. theta energy: -20.444 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: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -531.696541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.696541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.696541 (E_RNA) where: Base-Base interactions energy: -246.850 where: short stacking energy: -146.495 Base-Backbone interact. energy: -0.968 local terms energy: -283.878096 where: bonds (distance) C4'-P energy: -73.164 bonds (distance) P-C4' energy: -94.943 flat angles C4'-P-C4' energy: -73.536 flat angles P-C4'-P energy: -37.204 tors. eta vs tors. theta energy: -5.031 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: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -512.510967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.510967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.510967 (E_RNA) where: Base-Base interactions energy: -262.727 where: short stacking energy: -139.674 Base-Backbone interact. energy: 1.060 local terms energy: -250.843467 where: bonds (distance) C4'-P energy: -65.028 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -61.100 flat angles P-C4'-P energy: -46.997 tors. eta vs tors. theta energy: 3.695 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: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1600.698517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.698517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.698517 (E_RNA) where: Base-Base interactions energy: -1082.780 where: short stacking energy: -485.258 Base-Backbone interact. energy: -1.309 local terms energy: -516.609279 where: bonds (distance) C4'-P energy: -100.669 bonds (distance) P-C4' energy: -90.217 flat angles C4'-P-C4' energy: -100.378 flat angles P-C4'-P energy: -71.064 tors. eta vs tors. theta energy: -154.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1574.481266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.481266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.481266 (E_RNA) where: Base-Base interactions energy: -1081.405 where: short stacking energy: -451.951 Base-Backbone interact. energy: -1.743 local terms energy: -491.332946 where: bonds (distance) C4'-P energy: -79.741 bonds (distance) P-C4' energy: -97.301 flat angles C4'-P-C4' energy: -107.610 flat angles P-C4'-P energy: -65.996 tors. eta vs tors. theta energy: -140.686 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: 3, replica: 2 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1529.096571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.096571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.096571 (E_RNA) where: Base-Base interactions energy: -1069.655 where: short stacking energy: -448.142 Base-Backbone interact. energy: -3.582 local terms energy: -455.859711 where: bonds (distance) C4'-P energy: -74.041 bonds (distance) P-C4' energy: -82.575 flat angles C4'-P-C4' energy: -91.329 flat angles P-C4'-P energy: -76.827 tors. eta vs tors. theta energy: -131.088 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: 4, replica: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1389.672182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.672182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.672182 (E_RNA) where: Base-Base interactions energy: -943.151 where: short stacking energy: -395.993 Base-Backbone interact. energy: 0.937 local terms energy: -447.457658 where: bonds (distance) C4'-P energy: -83.480 bonds (distance) P-C4' energy: -88.781 flat angles C4'-P-C4' energy: -96.625 flat angles P-C4'-P energy: -57.526 tors. eta vs tors. theta energy: -121.045 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: 424 Temperature: 1.100000 Total energy: -1348.861655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.861655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.861655 (E_RNA) where: Base-Base interactions energy: -927.015 where: short stacking energy: -362.724 Base-Backbone interact. energy: -1.400 local terms energy: -420.446928 where: bonds (distance) C4'-P energy: -71.793 bonds (distance) P-C4' energy: -86.045 flat angles C4'-P-C4' energy: -86.920 flat angles P-C4'-P energy: -65.334 tors. eta vs tors. theta energy: -110.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1253.884752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.884752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.884752 (E_RNA) where: Base-Base interactions energy: -833.924 where: short stacking energy: -343.077 Base-Backbone interact. energy: 2.946 local terms energy: -422.906614 where: bonds (distance) C4'-P energy: -92.659 bonds (distance) P-C4' energy: -82.926 flat angles C4'-P-C4' energy: -80.123 flat angles P-C4'-P energy: -61.869 tors. eta vs tors. theta energy: -105.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1073.433493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.433493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.433493 (E_RNA) where: Base-Base interactions energy: -694.791 where: short stacking energy: -298.314 Base-Backbone interact. energy: -1.387 local terms energy: -377.255617 where: bonds (distance) C4'-P energy: -87.637 bonds (distance) P-C4' energy: -75.838 flat angles C4'-P-C4' energy: -96.060 flat angles P-C4'-P energy: -49.921 tors. eta vs tors. theta energy: -67.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -574.468021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.468021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.468021 (E_RNA) where: Base-Base interactions energy: -292.725 where: short stacking energy: -172.932 Base-Backbone interact. energy: 5.233 local terms energy: -286.975281 where: bonds (distance) C4'-P energy: -86.130 bonds (distance) P-C4' energy: -72.848 flat angles C4'-P-C4' energy: -65.439 flat angles P-C4'-P energy: -55.915 tors. eta vs tors. theta energy: -6.643 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: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -581.016282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.016282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.016282 (E_RNA) where: Base-Base interactions energy: -318.493 where: short stacking energy: -170.444 Base-Backbone interact. energy: -1.587 local terms energy: -260.936143 where: bonds (distance) C4'-P energy: -67.524 bonds (distance) P-C4' energy: -66.191 flat angles C4'-P-C4' energy: -61.615 flat angles P-C4'-P energy: -51.210 tors. eta vs tors. theta energy: -14.396 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: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -509.190874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.190874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.190874 (E_RNA) where: Base-Base interactions energy: -252.671 where: short stacking energy: -140.769 Base-Backbone interact. energy: 3.253 local terms energy: -259.772902 where: bonds (distance) C4'-P energy: -53.224 bonds (distance) P-C4' energy: -73.901 flat angles C4'-P-C4' energy: -78.280 flat angles P-C4'-P energy: -49.700 tors. eta vs tors. theta energy: -4.667 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: 1, replica: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1641.062410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.062410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.062410 (E_RNA) where: Base-Base interactions energy: -1121.459 where: short stacking energy: -470.209 Base-Backbone interact. energy: -1.084 local terms energy: -518.518736 where: bonds (distance) C4'-P energy: -81.533 bonds (distance) P-C4' energy: -93.806 flat angles C4'-P-C4' energy: -112.071 flat angles P-C4'-P energy: -83.459 tors. eta vs tors. theta energy: -147.650 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: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1583.131772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.131772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.131772 (E_RNA) where: Base-Base interactions energy: -1083.008 where: short stacking energy: -470.218 Base-Backbone interact. energy: -0.863 local terms energy: -499.260254 where: bonds (distance) C4'-P energy: -93.279 bonds (distance) P-C4' energy: -84.154 flat angles C4'-P-C4' energy: -93.128 flat angles P-C4'-P energy: -78.792 tors. eta vs tors. theta energy: -149.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1561.201064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.201064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.201064 (E_RNA) where: Base-Base interactions energy: -1083.122 where: short stacking energy: -453.890 Base-Backbone interact. energy: -2.898 local terms energy: -475.181483 where: bonds (distance) C4'-P energy: -83.595 bonds (distance) P-C4' energy: -90.051 flat angles C4'-P-C4' energy: -96.765 flat angles P-C4'-P energy: -68.974 tors. eta vs tors. theta energy: -135.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1335.160856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.160856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.160856 (E_RNA) where: Base-Base interactions energy: -916.009 where: short stacking energy: -374.261 Base-Backbone interact. energy: 2.289 local terms energy: -421.441263 where: bonds (distance) C4'-P energy: -89.166 bonds (distance) P-C4' energy: -87.252 flat angles C4'-P-C4' energy: -80.928 flat angles P-C4'-P energy: -57.138 tors. eta vs tors. theta energy: -106.957 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: 5, replica: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1312.930587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.930587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.930587 (E_RNA) where: Base-Base interactions energy: -903.026 where: short stacking energy: -368.888 Base-Backbone interact. energy: -0.221 local terms energy: -409.683721 where: bonds (distance) C4'-P energy: -80.224 bonds (distance) P-C4' energy: -84.887 flat angles C4'-P-C4' energy: -92.697 flat angles P-C4'-P energy: -51.283 tors. eta vs tors. theta energy: -100.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1260.720669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.720669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.720669 (E_RNA) where: Base-Base interactions energy: -846.277 where: short stacking energy: -349.025 Base-Backbone interact. energy: -1.204 local terms energy: -413.239586 where: bonds (distance) C4'-P energy: -84.012 bonds (distance) P-C4' energy: -80.959 flat angles C4'-P-C4' energy: -83.327 flat angles P-C4'-P energy: -59.556 tors. eta vs tors. theta energy: -105.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1008.234258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.234258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.234258 (E_RNA) where: Base-Base interactions energy: -637.467 where: short stacking energy: -301.161 Base-Backbone interact. energy: 0.270 local terms energy: -371.037387 where: bonds (distance) C4'-P energy: -86.255 bonds (distance) P-C4' energy: -79.484 flat angles C4'-P-C4' energy: -76.706 flat angles P-C4'-P energy: -55.421 tors. eta vs tors. theta energy: -73.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -576.937208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.937208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.937208 (E_RNA) where: Base-Base interactions energy: -292.263 where: short stacking energy: -157.140 Base-Backbone interact. energy: 3.300 local terms energy: -287.974114 where: bonds (distance) C4'-P energy: -75.599 bonds (distance) P-C4' energy: -92.230 flat angles C4'-P-C4' energy: -73.213 flat angles P-C4'-P energy: -34.106 tors. eta vs tors. theta energy: -12.826 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: 9, replica: 10 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -564.012467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.012467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.012467 (E_RNA) where: Base-Base interactions energy: -305.561 where: short stacking energy: -154.002 Base-Backbone interact. energy: 0.833 local terms energy: -259.284282 where: bonds (distance) C4'-P energy: -73.411 bonds (distance) P-C4' energy: -83.420 flat angles C4'-P-C4' energy: -66.057 flat angles P-C4'-P energy: -29.995 tors. eta vs tors. theta energy: -6.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -551.845447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.845447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.845447 (E_RNA) where: Base-Base interactions energy: -290.692 where: short stacking energy: -144.641 Base-Backbone interact. energy: -1.969 local terms energy: -259.184437 where: bonds (distance) C4'-P energy: -70.844 bonds (distance) P-C4' energy: -92.735 flat angles C4'-P-C4' energy: -57.229 flat angles P-C4'-P energy: -40.244 tors. eta vs tors. theta energy: 1.868 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: 426 Temperature: 0.900000 Total energy: -1634.836967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.836967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.836967 (E_RNA) where: Base-Base interactions energy: -1113.805 where: short stacking energy: -494.872 Base-Backbone interact. energy: -1.381 local terms energy: -519.650775 where: bonds (distance) C4'-P energy: -96.087 bonds (distance) P-C4' energy: -93.477 flat angles C4'-P-C4' energy: -106.648 flat angles P-C4'-P energy: -74.283 tors. eta vs tors. theta energy: -149.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1586.732904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.732904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.732904 (E_RNA) where: Base-Base interactions energy: -1073.964 where: short stacking energy: -470.969 Base-Backbone interact. energy: -1.402 local terms energy: -511.366706 where: bonds (distance) C4'-P energy: -93.574 bonds (distance) P-C4' energy: -86.706 flat angles C4'-P-C4' energy: -104.354 flat angles P-C4'-P energy: -72.777 tors. eta vs tors. theta energy: -153.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1549.083790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.083790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.083790 (E_RNA) where: Base-Base interactions energy: -1070.963 where: short stacking energy: -450.894 Base-Backbone interact. energy: -2.040 local terms energy: -476.080715 where: bonds (distance) C4'-P energy: -83.400 bonds (distance) P-C4' energy: -84.571 flat angles C4'-P-C4' energy: -102.052 flat angles P-C4'-P energy: -68.117 tors. eta vs tors. theta energy: -137.941 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: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1345.674883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.674883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.674883 (E_RNA) where: Base-Base interactions energy: -914.393 where: short stacking energy: -373.925 Base-Backbone interact. energy: -2.563 local terms energy: -428.718858 where: bonds (distance) C4'-P energy: -83.026 bonds (distance) P-C4' energy: -90.745 flat angles C4'-P-C4' energy: -90.347 flat angles P-C4'-P energy: -61.936 tors. eta vs tors. theta energy: -102.666 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: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1342.538725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.538725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.538725 (E_RNA) where: Base-Base interactions energy: -913.670 where: short stacking energy: -377.460 Base-Backbone interact. energy: -0.646 local terms energy: -428.223261 where: bonds (distance) C4'-P energy: -83.460 bonds (distance) P-C4' energy: -88.273 flat angles C4'-P-C4' energy: -91.513 flat angles P-C4'-P energy: -53.028 tors. eta vs tors. theta energy: -111.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1272.652712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.652712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.652712 (E_RNA) where: Base-Base interactions energy: -884.860 where: short stacking energy: -354.801 Base-Backbone interact. energy: -2.193 local terms energy: -385.599071 where: bonds (distance) C4'-P energy: -77.737 bonds (distance) P-C4' energy: -77.043 flat angles C4'-P-C4' energy: -96.439 flat angles P-C4'-P energy: -32.969 tors. eta vs tors. theta energy: -101.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1004.692033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.692033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.692033 (E_RNA) where: Base-Base interactions energy: -653.560 where: short stacking energy: -294.192 Base-Backbone interact. energy: -2.216 local terms energy: -348.915627 where: bonds (distance) C4'-P energy: -45.552 bonds (distance) P-C4' energy: -96.490 flat angles C4'-P-C4' energy: -87.530 flat angles P-C4'-P energy: -59.566 tors. eta vs tors. theta energy: -59.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -575.452772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.452772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.452772 (E_RNA) where: Base-Base interactions energy: -294.813 where: short stacking energy: -147.396 Base-Backbone interact. energy: -1.924 local terms energy: -278.715778 where: bonds (distance) C4'-P energy: -67.192 bonds (distance) P-C4' energy: -72.724 flat angles C4'-P-C4' energy: -84.462 flat angles P-C4'-P energy: -43.931 tors. eta vs tors. theta energy: -10.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -592.897492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.897492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.897492 (E_RNA) where: Base-Base interactions energy: -306.463 where: short stacking energy: -173.637 Base-Backbone interact. energy: -2.337 local terms energy: -284.097424 where: bonds (distance) C4'-P energy: -71.578 bonds (distance) P-C4' energy: -91.408 flat angles C4'-P-C4' energy: -58.009 flat angles P-C4'-P energy: -49.004 tors. eta vs tors. theta energy: -14.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -489.151706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.151706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.151706 (E_RNA) where: Base-Base interactions energy: -239.360 where: short stacking energy: -126.451 Base-Backbone interact. energy: 4.764 local terms energy: -254.555633 where: bonds (distance) C4'-P energy: -62.706 bonds (distance) P-C4' energy: -84.739 flat angles C4'-P-C4' energy: -64.909 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: 0.736 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: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1613.407318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.407318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.407318 (E_RNA) where: Base-Base interactions energy: -1101.429 where: short stacking energy: -485.400 Base-Backbone interact. energy: -2.264 local terms energy: -509.714467 where: bonds (distance) C4'-P energy: -92.383 bonds (distance) P-C4' energy: -94.373 flat angles C4'-P-C4' energy: -111.976 flat angles P-C4'-P energy: -69.324 tors. eta vs tors. theta energy: -141.657 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: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1568.955830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.955830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.955830 (E_RNA) where: Base-Base interactions energy: -1064.548 where: short stacking energy: -462.097 Base-Backbone interact. energy: 0.543 local terms energy: -504.950926 where: bonds (distance) C4'-P energy: -101.500 bonds (distance) P-C4' energy: -84.375 flat angles C4'-P-C4' energy: -99.272 flat angles P-C4'-P energy: -73.755 tors. eta vs tors. theta energy: -146.048 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: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1543.998042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.998042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.998042 (E_RNA) where: Base-Base interactions energy: -1056.064 where: short stacking energy: -438.234 Base-Backbone interact. energy: -1.730 local terms energy: -486.204630 where: bonds (distance) C4'-P energy: -89.573 bonds (distance) P-C4' energy: -89.849 flat angles C4'-P-C4' energy: -98.716 flat angles P-C4'-P energy: -66.405 tors. eta vs tors. theta energy: -141.662 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: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1366.052794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.052794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.052794 (E_RNA) where: Base-Base interactions energy: -942.826 where: short stacking energy: -378.281 Base-Backbone interact. energy: 1.563 local terms energy: -424.790464 where: bonds (distance) C4'-P energy: -78.332 bonds (distance) P-C4' energy: -83.704 flat angles C4'-P-C4' energy: -94.553 flat angles P-C4'-P energy: -61.004 tors. eta vs tors. theta energy: -107.198 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: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1366.463566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.463566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.463566 (E_RNA) where: Base-Base interactions energy: -917.233 where: short stacking energy: -387.438 Base-Backbone interact. energy: -0.241 local terms energy: -448.989598 where: bonds (distance) C4'-P energy: -86.331 bonds (distance) P-C4' energy: -85.539 flat angles C4'-P-C4' energy: -98.581 flat angles P-C4'-P energy: -56.817 tors. eta vs tors. theta energy: -121.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1246.213888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.213888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.213888 (E_RNA) where: Base-Base interactions energy: -850.844 where: short stacking energy: -345.697 Base-Backbone interact. energy: -0.138 local terms energy: -395.232014 where: bonds (distance) C4'-P energy: -80.152 bonds (distance) P-C4' energy: -78.163 flat angles C4'-P-C4' energy: -91.855 flat angles P-C4'-P energy: -54.523 tors. eta vs tors. theta energy: -90.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1054.238358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.238358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.238358 (E_RNA) where: Base-Base interactions energy: -690.004 where: short stacking energy: -281.600 Base-Backbone interact. energy: -3.176 local terms energy: -361.057949 where: bonds (distance) C4'-P energy: -68.374 bonds (distance) P-C4' energy: -67.259 flat angles C4'-P-C4' energy: -87.424 flat angles P-C4'-P energy: -68.886 tors. eta vs tors. theta energy: -69.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -608.752296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.752296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.752296 (E_RNA) where: Base-Base interactions energy: -319.371 where: short stacking energy: -164.570 Base-Backbone interact. energy: -1.164 local terms energy: -288.217185 where: bonds (distance) C4'-P energy: -75.627 bonds (distance) P-C4' energy: -78.666 flat angles C4'-P-C4' energy: -68.863 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -11.947 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: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -567.107730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.107730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.107730 (E_RNA) where: Base-Base interactions energy: -289.713 where: short stacking energy: -169.691 Base-Backbone interact. energy: -2.484 local terms energy: -274.910359 where: bonds (distance) C4'-P energy: -60.974 bonds (distance) P-C4' energy: -90.069 flat angles C4'-P-C4' energy: -67.310 flat angles P-C4'-P energy: -41.681 tors. eta vs tors. theta energy: -14.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -529.623083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.623083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.623083 (E_RNA) where: Base-Base interactions energy: -279.632 where: short stacking energy: -167.706 Base-Backbone interact. energy: 0.092 local terms energy: -250.082899 where: bonds (distance) C4'-P energy: -52.653 bonds (distance) P-C4' energy: -65.165 flat angles C4'-P-C4' energy: -62.269 flat angles P-C4'-P energy: -52.274 tors. eta vs tors. theta energy: -17.721 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: 428 Temperature: 0.900000 Total energy: -1612.417786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.417786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.417786 (E_RNA) where: Base-Base interactions energy: -1097.494 where: short stacking energy: -504.177 Base-Backbone interact. energy: -2.243 local terms energy: -512.680470 where: bonds (distance) C4'-P energy: -90.858 bonds (distance) P-C4' energy: -101.382 flat angles C4'-P-C4' energy: -102.814 flat angles P-C4'-P energy: -69.704 tors. eta vs tors. theta energy: -147.922 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: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1560.414295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.414295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.414295 (E_RNA) where: Base-Base interactions energy: -1059.956 where: short stacking energy: -462.581 Base-Backbone interact. energy: -1.444 local terms energy: -499.014702 where: bonds (distance) C4'-P energy: -87.289 bonds (distance) P-C4' energy: -76.702 flat angles C4'-P-C4' energy: -98.574 flat angles P-C4'-P energy: -86.275 tors. eta vs tors. theta energy: -150.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1505.302204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.302204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.302204 (E_RNA) where: Base-Base interactions energy: -1050.245 where: short stacking energy: -424.023 Base-Backbone interact. energy: -2.796 local terms energy: -452.261537 where: bonds (distance) C4'-P energy: -80.282 bonds (distance) P-C4' energy: -84.427 flat angles C4'-P-C4' energy: -95.728 flat angles P-C4'-P energy: -63.037 tors. eta vs tors. theta energy: -128.787 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: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1372.603929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.603929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.603929 (E_RNA) where: Base-Base interactions energy: -965.398 where: short stacking energy: -389.781 Base-Backbone interact. energy: -0.715 local terms energy: -406.490929 where: bonds (distance) C4'-P energy: -75.609 bonds (distance) P-C4' energy: -79.434 flat angles C4'-P-C4' energy: -95.508 flat angles P-C4'-P energy: -54.359 tors. eta vs tors. theta energy: -101.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1340.569058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.569058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.569058 (E_RNA) where: Base-Base interactions energy: -910.227 where: short stacking energy: -378.067 Base-Backbone interact. energy: -2.351 local terms energy: -427.990494 where: bonds (distance) C4'-P energy: -67.951 bonds (distance) P-C4' energy: -90.295 flat angles C4'-P-C4' energy: -94.625 flat angles P-C4'-P energy: -54.234 tors. eta vs tors. theta energy: -120.887 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: 6, replica: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1156.816016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.816016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.816016 (E_RNA) where: Base-Base interactions energy: -803.203 where: short stacking energy: -339.669 Base-Backbone interact. energy: -1.207 local terms energy: -352.405556 where: bonds (distance) C4'-P energy: -66.711 bonds (distance) P-C4' energy: -62.741 flat angles C4'-P-C4' energy: -81.072 flat angles P-C4'-P energy: -49.262 tors. eta vs tors. theta energy: -92.620 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: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -975.207227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.207227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.207227 (E_RNA) where: Base-Base interactions energy: -655.619 where: short stacking energy: -287.488 Base-Backbone interact. energy: 6.349 local terms energy: -325.937441 where: bonds (distance) C4'-P energy: -72.302 bonds (distance) P-C4' energy: -57.106 flat angles C4'-P-C4' energy: -83.281 flat angles P-C4'-P energy: -47.402 tors. eta vs tors. theta energy: -65.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -591.534686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.534686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.534686 (E_RNA) where: Base-Base interactions energy: -314.570 where: short stacking energy: -181.620 Base-Backbone interact. energy: 0.692 local terms energy: -277.656433 where: bonds (distance) C4'-P energy: -69.646 bonds (distance) P-C4' energy: -77.270 flat angles C4'-P-C4' energy: -69.506 flat angles P-C4'-P energy: -37.200 tors. eta vs tors. theta energy: -24.035 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: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -538.059890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.059890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.059890 (E_RNA) where: Base-Base interactions energy: -271.834 where: short stacking energy: -157.147 Base-Backbone interact. energy: 2.195 local terms energy: -268.420677 where: bonds (distance) C4'-P energy: -85.961 bonds (distance) P-C4' energy: -76.227 flat angles C4'-P-C4' energy: -65.968 flat angles P-C4'-P energy: -41.737 tors. eta vs tors. theta energy: 1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -543.654424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.654424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.654424 (E_RNA) where: Base-Base interactions energy: -268.439 where: short stacking energy: -152.566 Base-Backbone interact. energy: -0.260 local terms energy: -274.955946 where: bonds (distance) C4'-P energy: -88.002 bonds (distance) P-C4' energy: -60.761 flat angles C4'-P-C4' energy: -80.398 flat angles P-C4'-P energy: -44.130 tors. eta vs tors. theta energy: -1.664 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: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1618.962038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.962038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.962038 (E_RNA) where: Base-Base interactions energy: -1106.989 where: short stacking energy: -493.565 Base-Backbone interact. energy: -1.023 local terms energy: -510.950085 where: bonds (distance) C4'-P energy: -95.341 bonds (distance) P-C4' energy: -87.268 flat angles C4'-P-C4' energy: -105.973 flat angles P-C4'-P energy: -79.738 tors. eta vs tors. theta energy: -142.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1566.654807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.654807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.654807 (E_RNA) where: Base-Base interactions energy: -1097.087 where: short stacking energy: -448.841 Base-Backbone interact. energy: -2.238 local terms energy: -467.329920 where: bonds (distance) C4'-P energy: -82.621 bonds (distance) P-C4' energy: -88.011 flat angles C4'-P-C4' energy: -96.764 flat angles P-C4'-P energy: -73.123 tors. eta vs tors. theta energy: -126.812 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: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1489.009786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.009786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.009786 (E_RNA) where: Base-Base interactions energy: -1009.575 where: short stacking energy: -423.825 Base-Backbone interact. energy: -1.540 local terms energy: -477.894633 where: bonds (distance) C4'-P energy: -90.806 bonds (distance) P-C4' energy: -87.244 flat angles C4'-P-C4' energy: -97.508 flat angles P-C4'-P energy: -61.946 tors. eta vs tors. theta energy: -140.391 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: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1369.163559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.163559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.163559 (E_RNA) where: Base-Base interactions energy: -929.519 where: short stacking energy: -385.437 Base-Backbone interact. energy: 3.557 local terms energy: -443.201528 where: bonds (distance) C4'-P energy: -89.254 bonds (distance) P-C4' energy: -78.926 flat angles C4'-P-C4' energy: -104.081 flat angles P-C4'-P energy: -63.649 tors. eta vs tors. theta energy: -107.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1313.144265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.144265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.144265 (E_RNA) where: Base-Base interactions energy: -906.124 where: short stacking energy: -360.268 Base-Backbone interact. energy: -2.121 local terms energy: -404.899304 where: bonds (distance) C4'-P energy: -79.714 bonds (distance) P-C4' energy: -73.317 flat angles C4'-P-C4' energy: -99.499 flat angles P-C4'-P energy: -55.425 tors. eta vs tors. theta energy: -96.944 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: 6, replica: 3 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1244.225730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.225730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.225730 (E_RNA) where: Base-Base interactions energy: -884.449 where: short stacking energy: -352.839 Base-Backbone interact. energy: -2.173 local terms energy: -357.603713 where: bonds (distance) C4'-P energy: -72.092 bonds (distance) P-C4' energy: -70.426 flat angles C4'-P-C4' energy: -67.750 flat angles P-C4'-P energy: -52.562 tors. eta vs tors. theta energy: -94.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1061.851962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.851962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.851962 (E_RNA) where: Base-Base interactions energy: -694.742 where: short stacking energy: -293.318 Base-Backbone interact. energy: 3.117 local terms energy: -370.227074 where: bonds (distance) C4'-P energy: -74.277 bonds (distance) P-C4' energy: -89.442 flat angles C4'-P-C4' energy: -87.819 flat angles P-C4'-P energy: -43.906 tors. eta vs tors. theta energy: -74.783 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: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -591.039871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.039871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.039871 (E_RNA) where: Base-Base interactions energy: -307.799 where: short stacking energy: -166.932 Base-Backbone interact. energy: 10.052 local terms energy: -293.293522 where: bonds (distance) C4'-P energy: -87.070 bonds (distance) P-C4' energy: -86.378 flat angles C4'-P-C4' energy: -66.097 flat angles P-C4'-P energy: -35.271 tors. eta vs tors. theta energy: -18.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -570.259578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.259578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.259578 (E_RNA) where: Base-Base interactions energy: -309.027 where: short stacking energy: -164.810 Base-Backbone interact. energy: -1.610 local terms energy: -259.622505 where: bonds (distance) C4'-P energy: -81.717 bonds (distance) P-C4' energy: -85.754 flat angles C4'-P-C4' energy: -56.368 flat angles P-C4'-P energy: -36.502 tors. eta vs tors. theta energy: 0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -513.291340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.291340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.291340 (E_RNA) where: Base-Base interactions energy: -246.075 where: short stacking energy: -150.143 Base-Backbone interact. energy: -2.206 local terms energy: -265.010864 where: bonds (distance) C4'-P energy: -54.404 bonds (distance) P-C4' energy: -85.668 flat angles C4'-P-C4' energy: -79.133 flat angles P-C4'-P energy: -43.619 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1587.414635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.414635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.414635 (E_RNA) where: Base-Base interactions energy: -1111.785 where: short stacking energy: -464.379 Base-Backbone interact. energy: -4.209 local terms energy: -471.421201 where: bonds (distance) C4'-P energy: -86.807 bonds (distance) P-C4' energy: -89.108 flat angles C4'-P-C4' energy: -98.241 flat angles P-C4'-P energy: -66.477 tors. eta vs tors. theta energy: -130.787 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: 430 Temperature: 0.950000 Total energy: -1567.392740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.392740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.392740 (E_RNA) where: Base-Base interactions energy: -1083.248 where: short stacking energy: -464.165 Base-Backbone interact. energy: -0.918 local terms energy: -483.226908 where: bonds (distance) C4'-P energy: -84.780 bonds (distance) P-C4' energy: -91.893 flat angles C4'-P-C4' energy: -102.142 flat angles P-C4'-P energy: -66.773 tors. eta vs tors. theta energy: -137.638 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: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1521.459435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.459435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.459435 (E_RNA) where: Base-Base interactions energy: -1042.468 where: short stacking energy: -444.121 Base-Backbone interact. energy: 0.621 local terms energy: -479.611943 where: bonds (distance) C4'-P energy: -68.992 bonds (distance) P-C4' energy: -89.663 flat angles C4'-P-C4' energy: -103.812 flat angles P-C4'-P energy: -73.516 tors. eta vs tors. theta energy: -143.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1388.831989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.831989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.831989 (E_RNA) where: Base-Base interactions energy: -955.011 where: short stacking energy: -394.995 Base-Backbone interact. energy: 0.377 local terms energy: -434.197857 where: bonds (distance) C4'-P energy: -78.870 bonds (distance) P-C4' energy: -90.183 flat angles C4'-P-C4' energy: -87.367 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: -116.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1324.852969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.852969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.852969 (E_RNA) where: Base-Base interactions energy: -898.996 where: short stacking energy: -378.455 Base-Backbone interact. energy: 1.431 local terms energy: -427.287489 where: bonds (distance) C4'-P energy: -92.372 bonds (distance) P-C4' energy: -79.832 flat angles C4'-P-C4' energy: -93.591 flat angles P-C4'-P energy: -61.923 tors. eta vs tors. theta energy: -99.570 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: 6, replica: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1213.108845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.108845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.108845 (E_RNA) where: Base-Base interactions energy: -809.271 where: short stacking energy: -340.484 Base-Backbone interact. energy: -2.634 local terms energy: -401.203340 where: bonds (distance) C4'-P energy: -76.148 bonds (distance) P-C4' energy: -93.530 flat angles C4'-P-C4' energy: -96.206 flat angles P-C4'-P energy: -39.253 tors. eta vs tors. theta energy: -96.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1068.325909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.325909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.325909 (E_RNA) where: Base-Base interactions energy: -702.852 where: short stacking energy: -296.441 Base-Backbone interact. energy: 0.797 local terms energy: -366.270785 where: bonds (distance) C4'-P energy: -68.417 bonds (distance) P-C4' energy: -74.987 flat angles C4'-P-C4' energy: -85.568 flat angles P-C4'-P energy: -53.419 tors. eta vs tors. theta energy: -83.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -618.118258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.118258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.118258 (E_RNA) where: Base-Base interactions energy: -315.729 where: short stacking energy: -174.760 Base-Backbone interact. energy: -0.786 local terms energy: -301.602819 where: bonds (distance) C4'-P energy: -73.246 bonds (distance) P-C4' energy: -76.111 flat angles C4'-P-C4' energy: -69.121 flat angles P-C4'-P energy: -57.069 tors. eta vs tors. theta energy: -26.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -569.066492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.066492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.066492 (E_RNA) where: Base-Base interactions energy: -270.102 where: short stacking energy: -142.496 Base-Backbone interact. energy: 4.522 local terms energy: -303.486605 where: bonds (distance) C4'-P energy: -82.594 bonds (distance) P-C4' energy: -79.984 flat angles C4'-P-C4' energy: -69.333 flat angles P-C4'-P energy: -48.465 tors. eta vs tors. theta energy: -23.111 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: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -537.048414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.048414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.048414 (E_RNA) where: Base-Base interactions energy: -253.980 where: short stacking energy: -141.148 Base-Backbone interact. energy: 4.422 local terms energy: -287.489712 where: bonds (distance) C4'-P energy: -74.974 bonds (distance) P-C4' energy: -80.645 flat angles C4'-P-C4' energy: -64.274 flat angles P-C4'-P energy: -51.601 tors. eta vs tors. theta energy: -15.996 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: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1594.074063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.074063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.074063 (E_RNA) where: Base-Base interactions energy: -1093.917 where: short stacking energy: -441.064 Base-Backbone interact. energy: 0.020 local terms energy: -500.177413 where: bonds (distance) C4'-P energy: -92.376 bonds (distance) P-C4' energy: -93.547 flat angles C4'-P-C4' energy: -104.255 flat angles P-C4'-P energy: -71.121 tors. eta vs tors. theta energy: -138.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1558.461715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.461715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.461715 (E_RNA) where: Base-Base interactions energy: -1075.065 where: short stacking energy: -467.875 Base-Backbone interact. energy: -1.164 local terms energy: -482.232954 where: bonds (distance) C4'-P energy: -86.226 bonds (distance) P-C4' energy: -78.799 flat angles C4'-P-C4' energy: -97.337 flat angles P-C4'-P energy: -72.299 tors. eta vs tors. theta energy: -147.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1504.139508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.139508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.139508 (E_RNA) where: Base-Base interactions energy: -1029.723 where: short stacking energy: -429.624 Base-Backbone interact. energy: -1.365 local terms energy: -473.052460 where: bonds (distance) C4'-P energy: -80.102 bonds (distance) P-C4' energy: -90.950 flat angles C4'-P-C4' energy: -105.288 flat angles P-C4'-P energy: -66.895 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: 4, replica: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1379.510622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.510622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.510622 (E_RNA) where: Base-Base interactions energy: -921.562 where: short stacking energy: -391.623 Base-Backbone interact. energy: -2.965 local terms energy: -454.984177 where: bonds (distance) C4'-P energy: -84.824 bonds (distance) P-C4' energy: -89.220 flat angles C4'-P-C4' energy: -100.245 flat angles P-C4'-P energy: -64.544 tors. eta vs tors. theta energy: -116.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1341.812054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.812054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.812054 (E_RNA) where: Base-Base interactions energy: -924.092 where: short stacking energy: -404.233 Base-Backbone interact. energy: 3.451 local terms energy: -421.170867 where: bonds (distance) C4'-P energy: -80.455 bonds (distance) P-C4' energy: -73.530 flat angles C4'-P-C4' energy: -93.392 flat angles P-C4'-P energy: -61.888 tors. eta vs tors. theta energy: -111.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1191.228969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.228969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.228969 (E_RNA) where: Base-Base interactions energy: -789.696 where: short stacking energy: -349.696 Base-Backbone interact. energy: -3.613 local terms energy: -397.919870 where: bonds (distance) C4'-P energy: -65.727 bonds (distance) P-C4' energy: -80.295 flat angles C4'-P-C4' energy: -92.849 flat angles P-C4'-P energy: -64.453 tors. eta vs tors. theta energy: -94.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1003.955527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.955527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.955527 (E_RNA) where: Base-Base interactions energy: -639.576 where: short stacking energy: -304.236 Base-Backbone interact. energy: 1.468 local terms energy: -365.847418 where: bonds (distance) C4'-P energy: -91.407 bonds (distance) P-C4' energy: -82.960 flat angles C4'-P-C4' energy: -68.251 flat angles P-C4'-P energy: -46.894 tors. eta vs tors. theta energy: -76.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -600.032628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.032628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.032628 (E_RNA) where: Base-Base interactions energy: -307.466 where: short stacking energy: -166.466 Base-Backbone interact. energy: 0.910 local terms energy: -293.476203 where: bonds (distance) C4'-P energy: -74.638 bonds (distance) P-C4' energy: -87.786 flat angles C4'-P-C4' energy: -63.667 flat angles P-C4'-P energy: -53.410 tors. eta vs tors. theta energy: -13.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -571.486445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.486445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.486445 (E_RNA) where: Base-Base interactions energy: -306.096 where: short stacking energy: -166.651 Base-Backbone interact. energy: 2.670 local terms energy: -268.060139 where: bonds (distance) C4'-P energy: -75.463 bonds (distance) P-C4' energy: -73.662 flat angles C4'-P-C4' energy: -78.489 flat angles P-C4'-P energy: -37.738 tors. eta vs tors. theta energy: -2.708 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: 431 Temperature: 1.350000 Total energy: -527.738210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.738210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.738210 (E_RNA) where: Base-Base interactions energy: -260.753 where: short stacking energy: -161.636 Base-Backbone interact. energy: -0.172 local terms energy: -266.813341 where: bonds (distance) C4'-P energy: -73.256 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -69.382 flat angles P-C4'-P energy: -41.128 tors. eta vs tors. theta energy: -18.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1565.616313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.616313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.616313 (E_RNA) where: Base-Base interactions energy: -1084.105 where: short stacking energy: -477.431 Base-Backbone interact. energy: -1.389 local terms energy: -480.121940 where: bonds (distance) C4'-P energy: -80.617 bonds (distance) P-C4' energy: -80.375 flat angles C4'-P-C4' energy: -103.931 flat angles P-C4'-P energy: -69.589 tors. eta vs tors. theta energy: -145.610 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: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1558.712539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.712539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.712539 (E_RNA) where: Base-Base interactions energy: -1077.468 where: short stacking energy: -449.915 Base-Backbone interact. energy: 2.299 local terms energy: -483.543585 where: bonds (distance) C4'-P energy: -79.351 bonds (distance) P-C4' energy: -81.143 flat angles C4'-P-C4' energy: -109.184 flat angles P-C4'-P energy: -77.272 tors. eta vs tors. theta energy: -136.594 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: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1495.704812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.704812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.704812 (E_RNA) where: Base-Base interactions energy: -1012.007 where: short stacking energy: -438.186 Base-Backbone interact. energy: -0.875 local terms energy: -482.823117 where: bonds (distance) C4'-P energy: -90.533 bonds (distance) P-C4' energy: -78.649 flat angles C4'-P-C4' energy: -101.465 flat angles P-C4'-P energy: -76.933 tors. eta vs tors. theta energy: -135.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1385.720856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.720856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.720856 (E_RNA) where: Base-Base interactions energy: -970.682 where: short stacking energy: -386.659 Base-Backbone interact. energy: -0.062 local terms energy: -414.976689 where: bonds (distance) C4'-P energy: -69.899 bonds (distance) P-C4' energy: -86.275 flat angles C4'-P-C4' energy: -87.653 flat angles P-C4'-P energy: -65.409 tors. eta vs tors. theta energy: -105.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1315.166433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.166433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.166433 (E_RNA) where: Base-Base interactions energy: -899.017 where: short stacking energy: -387.792 Base-Backbone interact. energy: -0.818 local terms energy: -415.331435 where: bonds (distance) C4'-P energy: -77.648 bonds (distance) P-C4' energy: -76.548 flat angles C4'-P-C4' energy: -92.497 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -108.084 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: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1176.826379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.826379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.826379 (E_RNA) where: Base-Base interactions energy: -769.465 where: short stacking energy: -324.284 Base-Backbone interact. energy: -1.231 local terms energy: -406.130989 where: bonds (distance) C4'-P energy: -76.940 bonds (distance) P-C4' energy: -84.889 flat angles C4'-P-C4' energy: -92.525 flat angles P-C4'-P energy: -57.996 tors. eta vs tors. theta energy: -93.781 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: 7, replica: 6 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1019.047225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.047225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.047225 (E_RNA) where: Base-Base interactions energy: -630.550 where: short stacking energy: -266.202 Base-Backbone interact. energy: 3.431 local terms energy: -391.928359 where: bonds (distance) C4'-P energy: -81.489 bonds (distance) P-C4' energy: -85.108 flat angles C4'-P-C4' energy: -81.761 flat angles P-C4'-P energy: -61.245 tors. eta vs tors. theta energy: -82.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -595.306043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.306043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.306043 (E_RNA) where: Base-Base interactions energy: -342.495 where: short stacking energy: -208.963 Base-Backbone interact. energy: 5.104 local terms energy: -257.914609 where: bonds (distance) C4'-P energy: -63.772 bonds (distance) P-C4' energy: -73.796 flat angles C4'-P-C4' energy: -60.943 flat angles P-C4'-P energy: -40.108 tors. eta vs tors. theta energy: -19.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -565.918057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.918057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.918057 (E_RNA) where: Base-Base interactions energy: -283.403 where: short stacking energy: -164.926 Base-Backbone interact. energy: -2.296 local terms energy: -280.218788 where: bonds (distance) C4'-P energy: -69.446 bonds (distance) P-C4' energy: -89.579 flat angles C4'-P-C4' energy: -78.504 flat angles P-C4'-P energy: -38.123 tors. eta vs tors. theta energy: -4.567 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: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -520.316032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.316032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.316032 (E_RNA) where: Base-Base interactions energy: -278.524 where: short stacking energy: -137.285 Base-Backbone interact. energy: -2.423 local terms energy: -239.368190 where: bonds (distance) C4'-P energy: -77.009 bonds (distance) P-C4' energy: -69.996 flat angles C4'-P-C4' energy: -56.703 flat angles P-C4'-P energy: -45.199 tors. eta vs tors. theta energy: 9.538 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: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1597.763599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.763599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.763599 (E_RNA) where: Base-Base interactions energy: -1073.644 where: short stacking energy: -495.079 Base-Backbone interact. energy: -0.837 local terms energy: -523.282566 where: bonds (distance) C4'-P energy: -87.107 bonds (distance) P-C4' energy: -103.801 flat angles C4'-P-C4' energy: -105.864 flat angles P-C4'-P energy: -70.635 tors. eta vs tors. theta energy: -155.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1568.590919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.590919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.590919 (E_RNA) where: Base-Base interactions energy: -1077.999 where: short stacking energy: -457.261 Base-Backbone interact. energy: -1.162 local terms energy: -489.429940 where: bonds (distance) C4'-P energy: -79.098 bonds (distance) P-C4' energy: -93.686 flat angles C4'-P-C4' energy: -111.598 flat angles P-C4'-P energy: -75.054 tors. eta vs tors. theta energy: -129.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1500.677387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.677387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.677387 (E_RNA) where: Base-Base interactions energy: -1025.459 where: short stacking energy: -432.342 Base-Backbone interact. energy: 0.391 local terms energy: -475.608953 where: bonds (distance) C4'-P energy: -92.413 bonds (distance) P-C4' energy: -82.922 flat angles C4'-P-C4' energy: -105.544 flat angles P-C4'-P energy: -58.302 tors. eta vs tors. theta energy: -136.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1398.158586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.158586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.158586 (E_RNA) where: Base-Base interactions energy: -919.197 where: short stacking energy: -379.667 Base-Backbone interact. energy: -0.220 local terms energy: -478.741918 where: bonds (distance) C4'-P energy: -92.871 bonds (distance) P-C4' energy: -100.404 flat angles C4'-P-C4' energy: -102.923 flat angles P-C4'-P energy: -70.251 tors. eta vs tors. theta energy: -112.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1290.047303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.047303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.047303 (E_RNA) where: Base-Base interactions energy: -891.342 where: short stacking energy: -374.485 Base-Backbone interact. energy: 0.344 local terms energy: -399.049340 where: bonds (distance) C4'-P energy: -79.951 bonds (distance) P-C4' energy: -75.128 flat angles C4'-P-C4' energy: -85.991 flat angles P-C4'-P energy: -54.801 tors. eta vs tors. theta energy: -103.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1193.938576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.938576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.938576 (E_RNA) where: Base-Base interactions energy: -775.448 where: short stacking energy: -323.923 Base-Backbone interact. energy: 1.808 local terms energy: -420.298748 where: bonds (distance) C4'-P energy: -85.304 bonds (distance) P-C4' energy: -87.160 flat angles C4'-P-C4' energy: -97.677 flat angles P-C4'-P energy: -57.976 tors. eta vs tors. theta energy: -92.181 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: 7, replica: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1025.979779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.979779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.979779 (E_RNA) where: Base-Base interactions energy: -658.633 where: short stacking energy: -307.021 Base-Backbone interact. energy: -1.253 local terms energy: -366.094022 where: bonds (distance) C4'-P energy: -70.456 bonds (distance) P-C4' energy: -91.402 flat angles C4'-P-C4' energy: -82.088 flat angles P-C4'-P energy: -45.819 tors. eta vs tors. theta energy: -76.329 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: 8, replica: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -584.527466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.527466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.527466 (E_RNA) where: Base-Base interactions energy: -283.416 where: short stacking energy: -150.047 Base-Backbone interact. energy: -3.276 local terms energy: -297.835062 where: bonds (distance) C4'-P energy: -74.166 bonds (distance) P-C4' energy: -95.200 flat angles C4'-P-C4' energy: -73.675 flat angles P-C4'-P energy: -39.836 tors. eta vs tors. theta energy: -14.957 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: 10 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -548.268325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.268325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.268325 (E_RNA) where: Base-Base interactions energy: -273.043 where: short stacking energy: -156.415 Base-Backbone interact. energy: -0.344 local terms energy: -274.881016 where: bonds (distance) C4'-P energy: -65.282 bonds (distance) P-C4' energy: -76.612 flat angles C4'-P-C4' energy: -73.520 flat angles P-C4'-P energy: -50.901 tors. eta vs tors. theta energy: -8.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -558.993114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.993114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.993114 (E_RNA) where: Base-Base interactions energy: -276.623 where: short stacking energy: -161.625 Base-Backbone interact. energy: -4.909 local terms energy: -277.460584 where: bonds (distance) C4'-P energy: -65.152 bonds (distance) P-C4' energy: -84.310 flat angles C4'-P-C4' energy: -67.713 flat angles P-C4'-P energy: -49.079 tors. eta vs tors. theta energy: -11.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1627.070733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.070733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.070733 (E_RNA) where: Base-Base interactions energy: -1083.284 where: short stacking energy: -474.437 Base-Backbone interact. energy: -0.898 local terms energy: -542.888655 where: bonds (distance) C4'-P energy: -92.537 bonds (distance) P-C4' energy: -104.086 flat angles C4'-P-C4' energy: -108.504 flat angles P-C4'-P energy: -82.573 tors. eta vs tors. theta energy: -155.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1544.784096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.784096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.784096 (E_RNA) where: Base-Base interactions energy: -1081.382 where: short stacking energy: -442.278 Base-Backbone interact. energy: 0.052 local terms energy: -463.454295 where: bonds (distance) C4'-P energy: -85.021 bonds (distance) P-C4' energy: -85.331 flat angles C4'-P-C4' energy: -96.476 flat angles P-C4'-P energy: -65.841 tors. eta vs tors. theta energy: -130.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1529.632714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.632714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.632714 (E_RNA) where: Base-Base interactions energy: -1037.946 where: short stacking energy: -462.963 Base-Backbone interact. energy: -0.731 local terms energy: -490.956390 where: bonds (distance) C4'-P energy: -79.804 bonds (distance) P-C4' energy: -83.707 flat angles C4'-P-C4' energy: -103.241 flat angles P-C4'-P energy: -76.116 tors. eta vs tors. theta energy: -148.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1388.233927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.233927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.233927 (E_RNA) where: Base-Base interactions energy: -941.224 where: short stacking energy: -396.237 Base-Backbone interact. energy: -1.443 local terms energy: -445.567706 where: bonds (distance) C4'-P energy: -88.902 bonds (distance) P-C4' energy: -93.710 flat angles C4'-P-C4' energy: -93.745 flat angles P-C4'-P energy: -59.184 tors. eta vs tors. theta energy: -110.027 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: 5, replica: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1346.170242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.170242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.170242 (E_RNA) where: Base-Base interactions energy: -933.202 where: short stacking energy: -362.764 Base-Backbone interact. energy: -1.098 local terms energy: -411.870400 where: bonds (distance) C4'-P energy: -74.233 bonds (distance) P-C4' energy: -86.556 flat angles C4'-P-C4' energy: -83.513 flat angles P-C4'-P energy: -65.233 tors. eta vs tors. theta energy: -102.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1117.241360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.241360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.241360 (E_RNA) where: Base-Base interactions energy: -756.024 where: short stacking energy: -339.105 Base-Backbone interact. energy: -1.358 local terms energy: -359.858967 where: bonds (distance) C4'-P energy: -73.190 bonds (distance) P-C4' energy: -74.136 flat angles C4'-P-C4' energy: -90.138 flat angles P-C4'-P energy: -41.114 tors. eta vs tors. theta energy: -81.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1038.409521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.409521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.409521 (E_RNA) where: Base-Base interactions energy: -653.549 where: short stacking energy: -286.796 Base-Backbone interact. energy: -1.102 local terms energy: -383.758403 where: bonds (distance) C4'-P energy: -85.326 bonds (distance) P-C4' energy: -93.275 flat angles C4'-P-C4' energy: -85.809 flat angles P-C4'-P energy: -45.535 tors. eta vs tors. theta energy: -73.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -632.021560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.021560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.021560 (E_RNA) where: Base-Base interactions energy: -338.364 where: short stacking energy: -184.512 Base-Backbone interact. energy: -1.917 local terms energy: -291.739981 where: bonds (distance) C4'-P energy: -67.787 bonds (distance) P-C4' energy: -81.097 flat angles C4'-P-C4' energy: -87.573 flat angles P-C4'-P energy: -43.343 tors. eta vs tors. theta energy: -11.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -552.239469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.239469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.239469 (E_RNA) where: Base-Base interactions energy: -275.209 where: short stacking energy: -152.241 Base-Backbone interact. energy: -1.479 local terms energy: -275.551137 where: bonds (distance) C4'-P energy: -89.283 bonds (distance) P-C4' energy: -83.275 flat angles C4'-P-C4' energy: -49.213 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -11.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -546.461392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.461392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.461392 (E_RNA) where: Base-Base interactions energy: -279.642 where: short stacking energy: -146.682 Base-Backbone interact. energy: 5.901 local terms energy: -272.720674 where: bonds (distance) C4'-P energy: -73.431 bonds (distance) P-C4' energy: -75.720 flat angles C4'-P-C4' energy: -55.866 flat angles P-C4'-P energy: -51.158 tors. eta vs tors. theta energy: -16.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1627.261228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.261228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.261228 (E_RNA) where: Base-Base interactions energy: -1124.020 where: short stacking energy: -491.169 Base-Backbone interact. energy: -0.852 local terms energy: -502.389106 where: bonds (distance) C4'-P energy: -89.021 bonds (distance) P-C4' energy: -84.528 flat angles C4'-P-C4' energy: -110.177 flat angles P-C4'-P energy: -67.682 tors. eta vs tors. theta energy: -150.980 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: 5 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1560.871735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.871735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.871735 (E_RNA) where: Base-Base interactions energy: -1059.873 where: short stacking energy: -450.412 Base-Backbone interact. energy: -0.757 local terms energy: -500.240999 where: bonds (distance) C4'-P energy: -89.424 bonds (distance) P-C4' energy: -89.025 flat angles C4'-P-C4' energy: -97.222 flat angles P-C4'-P energy: -78.954 tors. eta vs tors. theta energy: -145.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1501.708515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.708515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.708515 (E_RNA) where: Base-Base interactions energy: -1040.594 where: short stacking energy: -434.017 Base-Backbone interact. energy: 0.787 local terms energy: -461.901408 where: bonds (distance) C4'-P energy: -87.830 bonds (distance) P-C4' energy: -87.353 flat angles C4'-P-C4' energy: -104.266 flat angles P-C4'-P energy: -58.647 tors. eta vs tors. theta energy: -123.805 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: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1402.379766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.379766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.379766 (E_RNA) where: Base-Base interactions energy: -931.860 where: short stacking energy: -384.446 Base-Backbone interact. energy: -1.007 local terms energy: -469.512034 where: bonds (distance) C4'-P energy: -94.809 bonds (distance) P-C4' energy: -87.266 flat angles C4'-P-C4' energy: -101.510 flat angles P-C4'-P energy: -74.050 tors. eta vs tors. theta energy: -111.877 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: 4 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1328.432314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.432314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.432314 (E_RNA) where: Base-Base interactions energy: -915.884 where: short stacking energy: -377.511 Base-Backbone interact. energy: -1.667 local terms energy: -410.881522 where: bonds (distance) C4'-P energy: -78.219 bonds (distance) P-C4' energy: -77.716 flat angles C4'-P-C4' energy: -92.304 flat angles P-C4'-P energy: -62.050 tors. eta vs tors. theta energy: -100.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1138.384435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.384435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.384435 (E_RNA) where: Base-Base interactions energy: -740.844 where: short stacking energy: -325.653 Base-Backbone interact. energy: 1.976 local terms energy: -399.516529 where: bonds (distance) C4'-P energy: -75.840 bonds (distance) P-C4' energy: -91.726 flat angles C4'-P-C4' energy: -90.607 flat angles P-C4'-P energy: -64.017 tors. eta vs tors. theta energy: -77.326 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: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1076.690862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.690862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.690862 (E_RNA) where: Base-Base interactions energy: -734.097 where: short stacking energy: -300.547 Base-Backbone interact. energy: 0.592 local terms energy: -343.185519 where: bonds (distance) C4'-P energy: -74.177 bonds (distance) P-C4' energy: -77.329 flat angles C4'-P-C4' energy: -84.823 flat angles P-C4'-P energy: -35.745 tors. eta vs tors. theta energy: -71.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -609.286882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.286882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.286882 (E_RNA) where: Base-Base interactions energy: -308.469 where: short stacking energy: -164.815 Base-Backbone interact. energy: 0.605 local terms energy: -301.422199 where: bonds (distance) C4'-P energy: -85.376 bonds (distance) P-C4' energy: -85.581 flat angles C4'-P-C4' energy: -69.594 flat angles P-C4'-P energy: -47.439 tors. eta vs tors. theta energy: -13.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -572.455700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.455700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.455700 (E_RNA) where: Base-Base interactions energy: -310.066 where: short stacking energy: -183.153 Base-Backbone interact. energy: -2.022 local terms energy: -260.367361 where: bonds (distance) C4'-P energy: -57.443 bonds (distance) P-C4' energy: -77.812 flat angles C4'-P-C4' energy: -57.092 flat angles P-C4'-P energy: -55.748 tors. eta vs tors. theta energy: -12.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -526.469170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.469170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.469170 (E_RNA) where: Base-Base interactions energy: -252.645 where: short stacking energy: -128.512 Base-Backbone interact. energy: -1.680 local terms energy: -272.144693 where: bonds (distance) C4'-P energy: -73.578 bonds (distance) P-C4' energy: -78.880 flat angles C4'-P-C4' energy: -61.660 flat angles P-C4'-P energy: -55.444 tors. eta vs tors. theta energy: -2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1626.751207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.751207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.751207 (E_RNA) where: Base-Base interactions energy: -1104.002 where: short stacking energy: -472.944 Base-Backbone interact. energy: 0.960 local terms energy: -523.709252 where: bonds (distance) C4'-P energy: -90.664 bonds (distance) P-C4' energy: -93.078 flat angles C4'-P-C4' energy: -105.236 flat angles P-C4'-P energy: -80.940 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: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1587.604929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.604929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.604929 (E_RNA) where: Base-Base interactions energy: -1083.630 where: short stacking energy: -483.255 Base-Backbone interact. energy: 1.425 local terms energy: -505.399685 where: bonds (distance) C4'-P energy: -97.325 bonds (distance) P-C4' energy: -89.761 flat angles C4'-P-C4' energy: -102.615 flat angles P-C4'-P energy: -71.675 tors. eta vs tors. theta energy: -144.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1498.994536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.994536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.994536 (E_RNA) where: Base-Base interactions energy: -1036.941 where: short stacking energy: -412.503 Base-Backbone interact. energy: 1.737 local terms energy: -463.790158 where: bonds (distance) C4'-P energy: -85.526 bonds (distance) P-C4' energy: -90.939 flat angles C4'-P-C4' energy: -93.452 flat angles P-C4'-P energy: -71.573 tors. eta vs tors. theta energy: -122.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1410.647673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.647673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.647673 (E_RNA) where: Base-Base interactions energy: -974.480 where: short stacking energy: -422.470 Base-Backbone interact. energy: 0.642 local terms energy: -436.809927 where: bonds (distance) C4'-P energy: -82.285 bonds (distance) P-C4' energy: -80.418 flat angles C4'-P-C4' energy: -98.652 flat angles P-C4'-P energy: -54.206 tors. eta vs tors. theta energy: -121.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1322.397539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.397539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.397539 (E_RNA) where: Base-Base interactions energy: -900.824 where: short stacking energy: -377.552 Base-Backbone interact. energy: -2.045 local terms energy: -419.527702 where: bonds (distance) C4'-P energy: -81.570 bonds (distance) P-C4' energy: -79.336 flat angles C4'-P-C4' energy: -92.616 flat angles P-C4'-P energy: -57.788 tors. eta vs tors. theta energy: -108.218 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: 436 Temperature: 1.150000 Total energy: -1112.797241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.797241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.797241 (E_RNA) where: Base-Base interactions energy: -718.172 where: short stacking energy: -327.511 Base-Backbone interact. energy: -2.122 local terms energy: -392.503506 where: bonds (distance) C4'-P energy: -85.101 bonds (distance) P-C4' energy: -79.781 flat angles C4'-P-C4' energy: -90.270 flat angles P-C4'-P energy: -48.615 tors. eta vs tors. theta energy: -88.737 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: 3 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1022.746222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.746222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.746222 (E_RNA) where: Base-Base interactions energy: -673.240 where: short stacking energy: -285.800 Base-Backbone interact. energy: -0.141 local terms energy: -349.365319 where: bonds (distance) C4'-P energy: -67.385 bonds (distance) P-C4' energy: -84.505 flat angles C4'-P-C4' energy: -75.886 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -75.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -561.679101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.679101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.679101 (E_RNA) where: Base-Base interactions energy: -290.919 where: short stacking energy: -159.012 Base-Backbone interact. energy: -1.139 local terms energy: -269.621351 where: bonds (distance) C4'-P energy: -69.533 bonds (distance) P-C4' energy: -89.633 flat angles C4'-P-C4' energy: -70.816 flat angles P-C4'-P energy: -34.232 tors. eta vs tors. theta energy: -5.408 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: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -588.759096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.759096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.759096 (E_RNA) where: Base-Base interactions energy: -312.011 where: short stacking energy: -158.348 Base-Backbone interact. energy: -0.397 local terms energy: -276.350631 where: bonds (distance) C4'-P energy: -80.026 bonds (distance) P-C4' energy: -72.346 flat angles C4'-P-C4' energy: -70.623 flat angles P-C4'-P energy: -36.805 tors. eta vs tors. theta energy: -16.549 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: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -494.511042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.511042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.511042 (E_RNA) where: Base-Base interactions energy: -239.776 where: short stacking energy: -120.178 Base-Backbone interact. energy: -2.567 local terms energy: -252.167676 where: bonds (distance) C4'-P energy: -84.424 bonds (distance) P-C4' energy: -70.670 flat angles C4'-P-C4' energy: -70.216 flat angles P-C4'-P energy: -40.771 tors. eta vs tors. theta energy: 13.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1630.737451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.737451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.737451 (E_RNA) where: Base-Base interactions energy: -1113.792 where: short stacking energy: -489.026 Base-Backbone interact. energy: -0.962 local terms energy: -515.983090 where: bonds (distance) C4'-P energy: -92.619 bonds (distance) P-C4' energy: -94.234 flat angles C4'-P-C4' energy: -104.077 flat angles P-C4'-P energy: -77.404 tors. eta vs tors. theta energy: -147.650 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: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1594.238478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.238478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.238478 (E_RNA) where: Base-Base interactions energy: -1083.868 where: short stacking energy: -486.231 Base-Backbone interact. energy: -0.120 local terms energy: -510.251122 where: bonds (distance) C4'-P energy: -80.993 bonds (distance) P-C4' energy: -95.732 flat angles C4'-P-C4' energy: -102.040 flat angles P-C4'-P energy: -79.091 tors. eta vs tors. theta energy: -152.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1536.171248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.171248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.171248 (E_RNA) where: Base-Base interactions energy: -1070.656 where: short stacking energy: -422.574 Base-Backbone interact. energy: -0.165 local terms energy: -465.350312 where: bonds (distance) C4'-P energy: -98.427 bonds (distance) P-C4' energy: -77.652 flat angles C4'-P-C4' energy: -100.293 flat angles P-C4'-P energy: -63.898 tors. eta vs tors. theta energy: -125.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1419.468427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.468427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.468427 (E_RNA) where: Base-Base interactions energy: -982.928 where: short stacking energy: -398.912 Base-Backbone interact. energy: 0.071 local terms energy: -436.610876 where: bonds (distance) C4'-P energy: -70.108 bonds (distance) P-C4' energy: -86.292 flat angles C4'-P-C4' energy: -91.132 flat angles P-C4'-P energy: -70.823 tors. eta vs tors. theta energy: -118.257 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: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1363.024081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.024081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.024081 (E_RNA) where: Base-Base interactions energy: -933.973 where: short stacking energy: -397.101 Base-Backbone interact. energy: 3.884 local terms energy: -432.935058 where: bonds (distance) C4'-P energy: -76.790 bonds (distance) P-C4' energy: -88.356 flat angles C4'-P-C4' energy: -89.728 flat angles P-C4'-P energy: -59.773 tors. eta vs tors. theta energy: -118.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1141.040034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.040034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.040034 (E_RNA) where: Base-Base interactions energy: -766.747 where: short stacking energy: -319.492 Base-Backbone interact. energy: -3.086 local terms energy: -371.206932 where: bonds (distance) C4'-P energy: -71.094 bonds (distance) P-C4' energy: -79.091 flat angles C4'-P-C4' energy: -85.983 flat angles P-C4'-P energy: -56.991 tors. eta vs tors. theta energy: -78.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1052.444097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.444097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.444097 (E_RNA) where: Base-Base interactions energy: -676.457 where: short stacking energy: -288.120 Base-Backbone interact. energy: 2.441 local terms energy: -378.427677 where: bonds (distance) C4'-P energy: -84.030 bonds (distance) P-C4' energy: -74.166 flat angles C4'-P-C4' energy: -83.540 flat angles P-C4'-P energy: -60.658 tors. eta vs tors. theta energy: -76.034 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: 8, replica: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -562.272725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.272725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.272725 (E_RNA) where: Base-Base interactions energy: -274.855 where: short stacking energy: -139.970 Base-Backbone interact. energy: -1.182 local terms energy: -286.236444 where: bonds (distance) C4'-P energy: -82.514 bonds (distance) P-C4' energy: -75.017 flat angles C4'-P-C4' energy: -68.781 flat angles P-C4'-P energy: -48.743 tors. eta vs tors. theta energy: -11.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -587.767069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.767069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.767069 (E_RNA) where: Base-Base interactions energy: -299.169 where: short stacking energy: -167.920 Base-Backbone interact. energy: 0.279 local terms energy: -288.876830 where: bonds (distance) C4'-P energy: -72.154 bonds (distance) P-C4' energy: -82.038 flat angles C4'-P-C4' energy: -60.996 flat angles P-C4'-P energy: -56.113 tors. eta vs tors. theta energy: -17.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -506.348309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.348309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.348309 (E_RNA) where: Base-Base interactions energy: -267.618 where: short stacking energy: -153.489 Base-Backbone interact. energy: 2.238 local terms energy: -240.969219 where: bonds (distance) C4'-P energy: -61.476 bonds (distance) P-C4' energy: -76.648 flat angles C4'-P-C4' energy: -65.418 flat angles P-C4'-P energy: -39.418 tors. eta vs tors. theta energy: 1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1601.702180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.702180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.702180 (E_RNA) where: Base-Base interactions energy: -1096.658 where: short stacking energy: -474.045 Base-Backbone interact. energy: 0.762 local terms energy: -505.806488 where: bonds (distance) C4'-P energy: -87.059 bonds (distance) P-C4' energy: -88.089 flat angles C4'-P-C4' energy: -111.916 flat angles P-C4'-P energy: -75.550 tors. eta vs tors. theta energy: -143.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1590.689066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.689066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.689066 (E_RNA) where: Base-Base interactions energy: -1099.117 where: short stacking energy: -488.533 Base-Backbone interact. energy: -0.441 local terms energy: -491.131028 where: bonds (distance) C4'-P energy: -76.745 bonds (distance) P-C4' energy: -88.788 flat angles C4'-P-C4' energy: -97.141 flat angles P-C4'-P energy: -71.091 tors. eta vs tors. theta energy: -157.366 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: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1524.627672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.627672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.627672 (E_RNA) where: Base-Base interactions energy: -1068.460 where: short stacking energy: -444.956 Base-Backbone interact. energy: -0.385 local terms energy: -455.782772 where: bonds (distance) C4'-P energy: -87.270 bonds (distance) P-C4' energy: -78.160 flat angles C4'-P-C4' energy: -103.168 flat angles P-C4'-P energy: -58.245 tors. eta vs tors. theta energy: -128.938 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: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1401.209691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.209691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.209691 (E_RNA) where: Base-Base interactions energy: -966.441 where: short stacking energy: -396.862 Base-Backbone interact. energy: 0.735 local terms energy: -435.504445 where: bonds (distance) C4'-P energy: -75.317 bonds (distance) P-C4' energy: -75.323 flat angles C4'-P-C4' energy: -96.004 flat angles P-C4'-P energy: -71.885 tors. eta vs tors. theta energy: -116.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1384.518604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.518604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.518604 (E_RNA) where: Base-Base interactions energy: -941.591 where: short stacking energy: -387.622 Base-Backbone interact. energy: -3.697 local terms energy: -439.230147 where: bonds (distance) C4'-P energy: -90.805 bonds (distance) P-C4' energy: -86.687 flat angles C4'-P-C4' energy: -92.452 flat angles P-C4'-P energy: -55.404 tors. eta vs tors. theta energy: -113.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1190.297713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.297713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.297713 (E_RNA) where: Base-Base interactions energy: -796.011 where: short stacking energy: -349.401 Base-Backbone interact. energy: 4.358 local terms energy: -398.644506 where: bonds (distance) C4'-P energy: -81.619 bonds (distance) P-C4' energy: -86.269 flat angles C4'-P-C4' energy: -75.406 flat angles P-C4'-P energy: -59.280 tors. eta vs tors. theta energy: -96.070 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: 3 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1047.599333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.599333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.599333 (E_RNA) where: Base-Base interactions energy: -674.270 where: short stacking energy: -280.695 Base-Backbone interact. energy: 0.754 local terms energy: -374.083856 where: bonds (distance) C4'-P energy: -73.389 bonds (distance) P-C4' energy: -82.202 flat angles C4'-P-C4' energy: -86.911 flat angles P-C4'-P energy: -64.578 tors. eta vs tors. theta energy: -67.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -565.063835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.063835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.063835 (E_RNA) where: Base-Base interactions energy: -267.222 where: short stacking energy: -146.682 Base-Backbone interact. energy: 2.069 local terms energy: -299.910006 where: bonds (distance) C4'-P energy: -81.601 bonds (distance) P-C4' energy: -85.410 flat angles C4'-P-C4' energy: -74.594 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -10.418 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: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -598.362648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.362648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.362648 (E_RNA) where: Base-Base interactions energy: -321.539 where: short stacking energy: -190.634 Base-Backbone interact. energy: -1.243 local terms energy: -275.580370 where: bonds (distance) C4'-P energy: -68.547 bonds (distance) P-C4' energy: -65.462 flat angles C4'-P-C4' energy: -80.326 flat angles P-C4'-P energy: -43.013 tors. eta vs tors. theta energy: -18.232 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: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -520.935335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.935335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.935335 (E_RNA) where: Base-Base interactions energy: -256.527 where: short stacking energy: -142.084 Base-Backbone interact. energy: -0.341 local terms energy: -264.066764 where: bonds (distance) C4'-P energy: -69.921 bonds (distance) P-C4' energy: -85.952 flat angles C4'-P-C4' energy: -71.686 flat angles P-C4'-P energy: -24.961 tors. eta vs tors. theta energy: -11.547 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: 439 Temperature: 0.900000 Total energy: -1607.126746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.126746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.126746 (E_RNA) where: Base-Base interactions energy: -1109.072 where: short stacking energy: -475.233 Base-Backbone interact. energy: -2.289 local terms energy: -495.765361 where: bonds (distance) C4'-P energy: -87.281 bonds (distance) P-C4' energy: -91.946 flat angles C4'-P-C4' energy: -100.593 flat angles P-C4'-P energy: -73.308 tors. eta vs tors. theta energy: -142.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1591.910513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.910513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.910513 (E_RNA) where: Base-Base interactions energy: -1071.609 where: short stacking energy: -470.063 Base-Backbone interact. energy: -0.550 local terms energy: -519.751124 where: bonds (distance) C4'-P energy: -90.284 bonds (distance) P-C4' energy: -95.149 flat angles C4'-P-C4' energy: -106.925 flat angles P-C4'-P energy: -76.707 tors. eta vs tors. theta energy: -150.686 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: 3, replica: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1525.526208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.526208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.526208 (E_RNA) where: Base-Base interactions energy: -1068.270 where: short stacking energy: -432.041 Base-Backbone interact. energy: 1.808 local terms energy: -459.064500 where: bonds (distance) C4'-P energy: -78.648 bonds (distance) P-C4' energy: -82.022 flat angles C4'-P-C4' energy: -99.704 flat angles P-C4'-P energy: -63.846 tors. eta vs tors. theta energy: -134.845 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: 4, replica: 4 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1380.120992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.120992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.120992 (E_RNA) where: Base-Base interactions energy: -940.989 where: short stacking energy: -382.865 Base-Backbone interact. energy: -2.140 local terms energy: -436.992113 where: bonds (distance) C4'-P energy: -85.384 bonds (distance) P-C4' energy: -81.980 flat angles C4'-P-C4' energy: -89.711 flat angles P-C4'-P energy: -66.740 tors. eta vs tors. theta energy: -113.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1356.344039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.344039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.344039 (E_RNA) where: Base-Base interactions energy: -923.682 where: short stacking energy: -404.899 Base-Backbone interact. energy: -1.066 local terms energy: -431.596970 where: bonds (distance) C4'-P energy: -67.650 bonds (distance) P-C4' energy: -80.087 flat angles C4'-P-C4' energy: -93.432 flat angles P-C4'-P energy: -75.012 tors. eta vs tors. theta energy: -115.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1193.141649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.141649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.141649 (E_RNA) where: Base-Base interactions energy: -772.484 where: short stacking energy: -326.849 Base-Backbone interact. energy: -2.319 local terms energy: -418.338530 where: bonds (distance) C4'-P energy: -78.412 bonds (distance) P-C4' energy: -92.649 flat angles C4'-P-C4' energy: -92.391 flat angles P-C4'-P energy: -53.777 tors. eta vs tors. theta energy: -101.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1093.907288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.907288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.907288 (E_RNA) where: Base-Base interactions energy: -726.702 where: short stacking energy: -309.152 Base-Backbone interact. energy: -2.259 local terms energy: -364.946122 where: bonds (distance) C4'-P energy: -76.209 bonds (distance) P-C4' energy: -79.066 flat angles C4'-P-C4' energy: -89.170 flat angles P-C4'-P energy: -45.850 tors. eta vs tors. theta energy: -74.652 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: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -611.598863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.598863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.598863 (E_RNA) where: Base-Base interactions energy: -341.298 where: short stacking energy: -170.739 Base-Backbone interact. energy: 0.515 local terms energy: -270.815639 where: bonds (distance) C4'-P energy: -77.344 bonds (distance) P-C4' energy: -72.515 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -54.470 tors. eta vs tors. theta energy: -1.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -568.650777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.650777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.650777 (E_RNA) where: Base-Base interactions energy: -302.432 where: short stacking energy: -163.824 Base-Backbone interact. energy: 1.303 local terms energy: -267.522584 where: bonds (distance) C4'-P energy: -70.546 bonds (distance) P-C4' energy: -71.258 flat angles C4'-P-C4' energy: -64.862 flat angles P-C4'-P energy: -45.214 tors. eta vs tors. theta energy: -15.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -512.027898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.027898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.027898 (E_RNA) where: Base-Base interactions energy: -266.642 where: short stacking energy: -135.918 Base-Backbone interact. energy: 1.107 local terms energy: -246.492695 where: bonds (distance) C4'-P energy: -82.854 bonds (distance) P-C4' energy: -74.769 flat angles C4'-P-C4' energy: -62.074 flat angles P-C4'-P energy: -30.948 tors. eta vs tors. theta energy: 4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1621.665966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.665966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.665966 (E_RNA) where: Base-Base interactions energy: -1092.570 where: short stacking energy: -488.610 Base-Backbone interact. energy: -1.176 local terms energy: -527.919447 where: bonds (distance) C4'-P energy: -101.735 bonds (distance) P-C4' energy: -90.827 flat angles C4'-P-C4' energy: -109.125 flat angles P-C4'-P energy: -78.973 tors. eta vs tors. theta energy: -147.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1571.716190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.716190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.716190 (E_RNA) where: Base-Base interactions energy: -1068.991 where: short stacking energy: -458.229 Base-Backbone interact. energy: -0.545 local terms energy: -502.180776 where: bonds (distance) C4'-P energy: -84.248 bonds (distance) P-C4' energy: -92.592 flat angles C4'-P-C4' energy: -106.526 flat angles P-C4'-P energy: -72.808 tors. eta vs tors. theta energy: -146.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1540.443788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.443788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.443788 (E_RNA) where: Base-Base interactions energy: -1064.086 where: short stacking energy: -435.069 Base-Backbone interact. energy: -3.487 local terms energy: -472.871096 where: bonds (distance) C4'-P energy: -73.236 bonds (distance) P-C4' energy: -88.589 flat angles C4'-P-C4' energy: -107.241 flat angles P-C4'-P energy: -62.994 tors. eta vs tors. theta energy: -140.810 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: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1368.690452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.690452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.690452 (E_RNA) where: Base-Base interactions energy: -942.774 where: short stacking energy: -383.371 Base-Backbone interact. energy: -2.492 local terms energy: -423.424566 where: bonds (distance) C4'-P energy: -86.299 bonds (distance) P-C4' energy: -79.330 flat angles C4'-P-C4' energy: -104.155 flat angles P-C4'-P energy: -58.069 tors. eta vs tors. theta energy: -95.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1320.719567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.719567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.719567 (E_RNA) where: Base-Base interactions energy: -881.883 where: short stacking energy: -375.065 Base-Backbone interact. energy: 0.247 local terms energy: -439.083863 where: bonds (distance) C4'-P energy: -86.724 bonds (distance) P-C4' energy: -95.903 flat angles C4'-P-C4' energy: -96.220 flat angles P-C4'-P energy: -49.407 tors. eta vs tors. theta energy: -110.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1161.597527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.597527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.597527 (E_RNA) where: Base-Base interactions energy: -789.926 where: short stacking energy: -344.495 Base-Backbone interact. energy: -0.810 local terms energy: -370.861463 where: bonds (distance) C4'-P energy: -74.191 bonds (distance) P-C4' energy: -73.435 flat angles C4'-P-C4' energy: -89.423 flat angles P-C4'-P energy: -50.500 tors. eta vs tors. theta energy: -83.312 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: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1102.978191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.978191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.978191 (E_RNA) where: Base-Base interactions energy: -724.493 where: short stacking energy: -304.401 Base-Backbone interact. energy: -0.493 local terms energy: -377.991920 where: bonds (distance) C4'-P energy: -77.593 bonds (distance) P-C4' energy: -88.110 flat angles C4'-P-C4' energy: -80.193 flat angles P-C4'-P energy: -48.214 tors. eta vs tors. theta energy: -83.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -602.760340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.760340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.760340 (E_RNA) where: Base-Base interactions energy: -323.484 where: short stacking energy: -170.003 Base-Backbone interact. energy: -0.554 local terms energy: -278.722772 where: bonds (distance) C4'-P energy: -75.017 bonds (distance) P-C4' energy: -79.264 flat angles C4'-P-C4' energy: -72.920 flat angles P-C4'-P energy: -41.543 tors. eta vs tors. theta energy: -9.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -518.592838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.592838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.592838 (E_RNA) where: Base-Base interactions energy: -275.992 where: short stacking energy: -146.422 Base-Backbone interact. energy: -1.637 local terms energy: -240.964156 where: bonds (distance) C4'-P energy: -68.025 bonds (distance) P-C4' energy: -86.434 flat angles C4'-P-C4' energy: -55.163 flat angles P-C4'-P energy: -30.509 tors. eta vs tors. theta energy: -0.834 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: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -508.181164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.181164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.181164 (E_RNA) where: Base-Base interactions energy: -257.672 where: short stacking energy: -118.968 Base-Backbone interact. energy: 4.212 local terms energy: -254.721473 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -82.841 flat angles C4'-P-C4' energy: -55.177 flat angles P-C4'-P energy: -35.875 tors. eta vs tors. theta energy: 4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1631.820577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.820577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.820577 (E_RNA) where: Base-Base interactions energy: -1127.091 where: short stacking energy: -488.666 Base-Backbone interact. energy: 0.650 local terms energy: -505.379823 where: bonds (distance) C4'-P energy: -88.840 bonds (distance) P-C4' energy: -98.694 flat angles C4'-P-C4' energy: -107.836 flat angles P-C4'-P energy: -69.006 tors. eta vs tors. theta energy: -141.004 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: 5 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1560.566743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.566743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.566743 (E_RNA) where: Base-Base interactions energy: -1086.887 where: short stacking energy: -461.152 Base-Backbone interact. energy: 0.270 local terms energy: -473.949782 where: bonds (distance) C4'-P energy: -80.951 bonds (distance) P-C4' energy: -83.505 flat angles C4'-P-C4' energy: -100.115 flat angles P-C4'-P energy: -61.232 tors. eta vs tors. theta energy: -148.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1556.695436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.695436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.695436 (E_RNA) where: Base-Base interactions energy: -1070.758 where: short stacking energy: -453.746 Base-Backbone interact. energy: -2.348 local terms energy: -483.589224 where: bonds (distance) C4'-P energy: -87.004 bonds (distance) P-C4' energy: -90.588 flat angles C4'-P-C4' energy: -104.645 flat angles P-C4'-P energy: -65.075 tors. eta vs tors. theta energy: -136.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1373.862560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.862560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.862560 (E_RNA) where: Base-Base interactions energy: -936.345 where: short stacking energy: -414.374 Base-Backbone interact. energy: 0.610 local terms energy: -438.127767 where: bonds (distance) C4'-P energy: -68.291 bonds (distance) P-C4' energy: -82.361 flat angles C4'-P-C4' energy: -95.716 flat angles P-C4'-P energy: -72.150 tors. eta vs tors. theta energy: -119.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1283.253912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.253912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.253912 (E_RNA) where: Base-Base interactions energy: -889.954 where: short stacking energy: -371.164 Base-Backbone interact. energy: -1.522 local terms energy: -391.777571 where: bonds (distance) C4'-P energy: -59.265 bonds (distance) P-C4' energy: -91.052 flat angles C4'-P-C4' energy: -84.193 flat angles P-C4'-P energy: -68.518 tors. eta vs tors. theta energy: -88.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1172.042631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.042631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.042631 (E_RNA) where: Base-Base interactions energy: -795.144 where: short stacking energy: -338.042 Base-Backbone interact. energy: -1.132 local terms energy: -375.766847 where: bonds (distance) C4'-P energy: -82.212 bonds (distance) P-C4' energy: -64.922 flat angles C4'-P-C4' energy: -90.163 flat angles P-C4'-P energy: -50.848 tors. eta vs tors. theta energy: -87.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1092.599414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.599414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.599414 (E_RNA) where: Base-Base interactions energy: -729.171 where: short stacking energy: -307.665 Base-Backbone interact. energy: 2.023 local terms energy: -365.452137 where: bonds (distance) C4'-P energy: -84.350 bonds (distance) P-C4' energy: -79.011 flat angles C4'-P-C4' energy: -82.967 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -68.601 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: 9 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -574.283241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.283241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.283241 (E_RNA) where: Base-Base interactions energy: -301.895 where: short stacking energy: -167.095 Base-Backbone interact. energy: -0.766 local terms energy: -271.621972 where: bonds (distance) C4'-P energy: -70.275 bonds (distance) P-C4' energy: -98.829 flat angles C4'-P-C4' energy: -52.306 flat angles P-C4'-P energy: -32.366 tors. eta vs tors. theta energy: -17.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -543.150323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.150323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.150323 (E_RNA) where: Base-Base interactions energy: -283.019 where: short stacking energy: -159.374 Base-Backbone interact. energy: -0.215 local terms energy: -259.916033 where: bonds (distance) C4'-P energy: -80.415 bonds (distance) P-C4' energy: -74.395 flat angles C4'-P-C4' energy: -57.677 flat angles P-C4'-P energy: -40.321 tors. eta vs tors. theta energy: -7.108 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: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -476.625364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.625364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.625364 (E_RNA) where: Base-Base interactions energy: -246.394 where: short stacking energy: -132.211 Base-Backbone interact. energy: 1.060 local terms energy: -231.291268 where: bonds (distance) C4'-P energy: -51.002 bonds (distance) P-C4' energy: -71.708 flat angles C4'-P-C4' energy: -67.581 flat angles P-C4'-P energy: -40.264 tors. eta vs tors. theta energy: -0.736 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: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1633.913370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.913370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.913370 (E_RNA) where: Base-Base interactions energy: -1121.249 where: short stacking energy: -488.700 Base-Backbone interact. energy: -0.372 local terms energy: -512.291702 where: bonds (distance) C4'-P energy: -95.620 bonds (distance) P-C4' energy: -82.041 flat angles C4'-P-C4' energy: -110.744 flat angles P-C4'-P energy: -67.538 tors. eta vs tors. theta energy: -156.348 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: 5 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1580.052763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.052763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.052763 (E_RNA) where: Base-Base interactions energy: -1086.689 where: short stacking energy: -477.382 Base-Backbone interact. energy: -0.649 local terms energy: -492.714432 where: bonds (distance) C4'-P energy: -83.414 bonds (distance) P-C4' energy: -92.563 flat angles C4'-P-C4' energy: -104.170 flat angles P-C4'-P energy: -60.410 tors. eta vs tors. theta energy: -152.157 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: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1542.092764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.092764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.092764 (E_RNA) where: Base-Base interactions energy: -1066.520 where: short stacking energy: -440.972 Base-Backbone interact. energy: -0.925 local terms energy: -474.647635 where: bonds (distance) C4'-P energy: -79.411 bonds (distance) P-C4' energy: -92.522 flat angles C4'-P-C4' energy: -109.375 flat angles P-C4'-P energy: -60.192 tors. eta vs tors. theta energy: -133.148 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: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1373.381807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.381807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.381807 (E_RNA) where: Base-Base interactions energy: -944.354 where: short stacking energy: -387.264 Base-Backbone interact. energy: -1.506 local terms energy: -427.521919 where: bonds (distance) C4'-P energy: -83.962 bonds (distance) P-C4' energy: -78.771 flat angles C4'-P-C4' energy: -101.836 flat angles P-C4'-P energy: -47.356 tors. eta vs tors. theta energy: -115.597 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: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1353.415721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.415721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.415721 (E_RNA) where: Base-Base interactions energy: -918.580 where: short stacking energy: -390.372 Base-Backbone interact. energy: 1.308 local terms energy: -436.143400 where: bonds (distance) C4'-P energy: -89.112 bonds (distance) P-C4' energy: -81.394 flat angles C4'-P-C4' energy: -94.291 flat angles P-C4'-P energy: -69.193 tors. eta vs tors. theta energy: -102.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1197.540103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.540103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.540103 (E_RNA) where: Base-Base interactions energy: -816.689 where: short stacking energy: -351.053 Base-Backbone interact. energy: 1.137 local terms energy: -381.987445 where: bonds (distance) C4'-P energy: -74.366 bonds (distance) P-C4' energy: -69.104 flat angles C4'-P-C4' energy: -98.983 flat angles P-C4'-P energy: -41.226 tors. eta vs tors. theta energy: -98.308 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: 3 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1044.148659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.148659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.148659 (E_RNA) where: Base-Base interactions energy: -683.457 where: short stacking energy: -275.277 Base-Backbone interact. energy: 0.991 local terms energy: -361.681875 where: bonds (distance) C4'-P energy: -70.042 bonds (distance) P-C4' energy: -99.179 flat angles C4'-P-C4' energy: -87.678 flat angles P-C4'-P energy: -45.549 tors. eta vs tors. theta energy: -59.233 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: 8, replica: 9 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -598.345771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.345771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.345771 (E_RNA) where: Base-Base interactions energy: -297.937 where: short stacking energy: -162.933 Base-Backbone interact. energy: 0.450 local terms energy: -300.858836 where: bonds (distance) C4'-P energy: -77.731 bonds (distance) P-C4' energy: -84.783 flat angles C4'-P-C4' energy: -84.737 flat angles P-C4'-P energy: -45.182 tors. eta vs tors. theta energy: -8.426 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: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -580.695389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.695389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.695389 (E_RNA) where: Base-Base interactions energy: -306.129 where: short stacking energy: -161.479 Base-Backbone interact. energy: 1.803 local terms energy: -276.370042 where: bonds (distance) C4'-P energy: -77.854 bonds (distance) P-C4' energy: -80.783 flat angles C4'-P-C4' energy: -61.484 flat angles P-C4'-P energy: -46.913 tors. eta vs tors. theta energy: -9.336 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: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -518.806385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.806385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.806385 (E_RNA) where: Base-Base interactions energy: -243.123 where: short stacking energy: -143.094 Base-Backbone interact. energy: 1.625 local terms energy: -277.308719 where: bonds (distance) C4'-P energy: -75.950 bonds (distance) P-C4' energy: -81.076 flat angles C4'-P-C4' energy: -79.864 flat angles P-C4'-P energy: -30.679 tors. eta vs tors. theta energy: -9.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1632.269846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.269846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.269846 (E_RNA) where: Base-Base interactions energy: -1113.992 where: short stacking energy: -494.226 Base-Backbone interact. energy: 0.542 local terms energy: -518.819865 where: bonds (distance) C4'-P energy: -84.941 bonds (distance) P-C4' energy: -94.725 flat angles C4'-P-C4' energy: -100.234 flat angles P-C4'-P energy: -79.759 tors. eta vs tors. theta energy: -159.160 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: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1576.130201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.130201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.130201 (E_RNA) where: Base-Base interactions energy: -1070.284 where: short stacking energy: -459.824 Base-Backbone interact. energy: 1.336 local terms energy: -507.181682 where: bonds (distance) C4'-P energy: -82.767 bonds (distance) P-C4' energy: -98.142 flat angles C4'-P-C4' energy: -104.003 flat angles P-C4'-P energy: -66.921 tors. eta vs tors. theta energy: -155.349 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: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1545.317383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.317383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.317383 (E_RNA) where: Base-Base interactions energy: -1062.420 where: short stacking energy: -438.347 Base-Backbone interact. energy: 0.463 local terms energy: -483.360353 where: bonds (distance) C4'-P energy: -94.886 bonds (distance) P-C4' energy: -87.147 flat angles C4'-P-C4' energy: -102.489 flat angles P-C4'-P energy: -63.101 tors. eta vs tors. theta energy: -135.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1406.376759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.376759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.376759 (E_RNA) where: Base-Base interactions energy: -969.561 where: short stacking energy: -392.557 Base-Backbone interact. energy: -0.979 local terms energy: -435.837070 where: bonds (distance) C4'-P energy: -91.369 bonds (distance) P-C4' energy: -75.783 flat angles C4'-P-C4' energy: -94.402 flat angles P-C4'-P energy: -65.393 tors. eta vs tors. theta energy: -108.890 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: 4 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1308.414817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.414817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.414817 (E_RNA) where: Base-Base interactions energy: -882.950 where: short stacking energy: -375.270 Base-Backbone interact. energy: -0.606 local terms energy: -424.858800 where: bonds (distance) C4'-P energy: -82.639 bonds (distance) P-C4' energy: -92.323 flat angles C4'-P-C4' energy: -79.688 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: -116.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1198.754409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.754409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.754409 (E_RNA) where: Base-Base interactions energy: -788.607 where: short stacking energy: -326.995 Base-Backbone interact. energy: -0.636 local terms energy: -409.511244 where: bonds (distance) C4'-P energy: -73.454 bonds (distance) P-C4' energy: -89.552 flat angles C4'-P-C4' energy: -97.593 flat angles P-C4'-P energy: -54.294 tors. eta vs tors. theta energy: -94.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1078.747301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.747301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.747301 (E_RNA) where: Base-Base interactions energy: -700.431 where: short stacking energy: -294.799 Base-Backbone interact. energy: -1.133 local terms energy: -377.183321 where: bonds (distance) C4'-P energy: -76.620 bonds (distance) P-C4' energy: -73.554 flat angles C4'-P-C4' energy: -84.825 flat angles P-C4'-P energy: -54.522 tors. eta vs tors. theta energy: -87.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -637.723740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.723740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.723740 (E_RNA) where: Base-Base interactions energy: -348.008 where: short stacking energy: -172.912 Base-Backbone interact. energy: -2.572 local terms energy: -287.143682 where: bonds (distance) C4'-P energy: -78.252 bonds (distance) P-C4' energy: -75.802 flat angles C4'-P-C4' energy: -78.417 flat angles P-C4'-P energy: -45.439 tors. eta vs tors. theta energy: -9.234 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: 443 Temperature: 1.300000 Total energy: -527.345855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.345855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.345855 (E_RNA) where: Base-Base interactions energy: -302.675 where: short stacking energy: -163.515 Base-Backbone interact. energy: -0.149 local terms energy: -224.521843 where: bonds (distance) C4'-P energy: -55.566 bonds (distance) P-C4' energy: -72.521 flat angles C4'-P-C4' energy: -67.520 flat angles P-C4'-P energy: -31.135 tors. eta vs tors. theta energy: 2.220 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: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -529.296999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.296999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.296999 (E_RNA) where: Base-Base interactions energy: -250.213 where: short stacking energy: -149.697 Base-Backbone interact. energy: 2.647 local terms energy: -281.731156 where: bonds (distance) C4'-P energy: -79.625 bonds (distance) P-C4' energy: -82.897 flat angles C4'-P-C4' energy: -72.632 flat angles P-C4'-P energy: -38.570 tors. eta vs tors. theta energy: -8.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1613.637763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.637763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.637763 (E_RNA) where: Base-Base interactions energy: -1104.489 where: short stacking energy: -471.297 Base-Backbone interact. energy: -1.072 local terms energy: -508.076413 where: bonds (distance) C4'-P energy: -98.190 bonds (distance) P-C4' energy: -88.822 flat angles C4'-P-C4' energy: -96.385 flat angles P-C4'-P energy: -76.117 tors. eta vs tors. theta energy: -148.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1572.800968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.800968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.800968 (E_RNA) where: Base-Base interactions energy: -1073.620 where: short stacking energy: -457.722 Base-Backbone interact. energy: -1.716 local terms energy: -497.464851 where: bonds (distance) C4'-P energy: -85.396 bonds (distance) P-C4' energy: -95.867 flat angles C4'-P-C4' energy: -101.341 flat angles P-C4'-P energy: -61.980 tors. eta vs tors. theta energy: -152.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1539.671775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.671775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.671775 (E_RNA) where: Base-Base interactions energy: -1084.514 where: short stacking energy: -444.011 Base-Backbone interact. energy: -1.416 local terms energy: -453.741787 where: bonds (distance) C4'-P energy: -80.995 bonds (distance) P-C4' energy: -84.799 flat angles C4'-P-C4' energy: -103.874 flat angles P-C4'-P energy: -57.555 tors. eta vs tors. theta energy: -126.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1445.971962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.971962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.971962 (E_RNA) where: Base-Base interactions energy: -1009.114 where: short stacking energy: -400.043 Base-Backbone interact. energy: 0.024 local terms energy: -436.881414 where: bonds (distance) C4'-P energy: -76.588 bonds (distance) P-C4' energy: -84.712 flat angles C4'-P-C4' energy: -100.962 flat angles P-C4'-P energy: -63.455 tors. eta vs tors. theta energy: -111.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1342.447573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.447573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.447573 (E_RNA) where: Base-Base interactions energy: -904.590 where: short stacking energy: -372.548 Base-Backbone interact. energy: 4.274 local terms energy: -442.131840 where: bonds (distance) C4'-P energy: -84.634 bonds (distance) P-C4' energy: -91.035 flat angles C4'-P-C4' energy: -96.315 flat angles P-C4'-P energy: -64.900 tors. eta vs tors. theta energy: -105.247 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: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1164.274328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.274328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.274328 (E_RNA) where: Base-Base interactions energy: -763.696 where: short stacking energy: -337.863 Base-Backbone interact. energy: -2.034 local terms energy: -398.544018 where: bonds (distance) C4'-P energy: -75.476 bonds (distance) P-C4' energy: -79.036 flat angles C4'-P-C4' energy: -84.633 flat angles P-C4'-P energy: -63.761 tors. eta vs tors. theta energy: -95.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1060.328529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.328529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.328529 (E_RNA) where: Base-Base interactions energy: -707.025 where: short stacking energy: -292.180 Base-Backbone interact. energy: -1.451 local terms energy: -351.852407 where: bonds (distance) C4'-P energy: -78.196 bonds (distance) P-C4' energy: -64.173 flat angles C4'-P-C4' energy: -83.722 flat angles P-C4'-P energy: -50.848 tors. eta vs tors. theta energy: -74.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -648.948170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.948170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.948170 (E_RNA) where: Base-Base interactions energy: -335.009 where: short stacking energy: -162.968 Base-Backbone interact. energy: -5.544 local terms energy: -308.394492 where: bonds (distance) C4'-P energy: -81.051 bonds (distance) P-C4' energy: -90.357 flat angles C4'-P-C4' energy: -80.311 flat angles P-C4'-P energy: -38.705 tors. eta vs tors. theta energy: -17.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -565.064618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.064618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.064618 (E_RNA) where: Base-Base interactions energy: -283.588 where: short stacking energy: -161.820 Base-Backbone interact. energy: 2.419 local terms energy: -283.895546 where: bonds (distance) C4'-P energy: -65.314 bonds (distance) P-C4' energy: -86.420 flat angles C4'-P-C4' energy: -61.196 flat angles P-C4'-P energy: -46.712 tors. eta vs tors. theta energy: -24.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -515.121826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.121826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.121826 (E_RNA) where: Base-Base interactions energy: -265.029 where: short stacking energy: -145.074 Base-Backbone interact. energy: -0.124 local terms energy: -249.968948 where: bonds (distance) C4'-P energy: -77.281 bonds (distance) P-C4' energy: -72.984 flat angles C4'-P-C4' energy: -59.264 flat angles P-C4'-P energy: -48.931 tors. eta vs tors. theta energy: 8.491 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: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1636.190967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.190967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.190967 (E_RNA) where: Base-Base interactions energy: -1107.693 where: short stacking energy: -492.307 Base-Backbone interact. energy: -1.167 local terms energy: -527.330325 where: bonds (distance) C4'-P energy: -89.668 bonds (distance) P-C4' energy: -95.408 flat angles C4'-P-C4' energy: -105.724 flat angles P-C4'-P energy: -79.725 tors. eta vs tors. theta energy: -156.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1573.506178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.506178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.506178 (E_RNA) where: Base-Base interactions energy: -1085.669 where: short stacking energy: -446.565 Base-Backbone interact. energy: -3.076 local terms energy: -484.761152 where: bonds (distance) C4'-P energy: -84.149 bonds (distance) P-C4' energy: -88.159 flat angles C4'-P-C4' energy: -95.814 flat angles P-C4'-P energy: -67.375 tors. eta vs tors. theta energy: -149.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1564.582895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.582895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.582895 (E_RNA) where: Base-Base interactions energy: -1067.641 where: short stacking energy: -445.626 Base-Backbone interact. energy: -2.900 local terms energy: -494.041856 where: bonds (distance) C4'-P energy: -98.922 bonds (distance) P-C4' energy: -94.918 flat angles C4'-P-C4' energy: -105.569 flat angles P-C4'-P energy: -63.776 tors. eta vs tors. theta energy: -130.856 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: 4, replica: 4 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1412.036721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.036721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.036721 (E_RNA) where: Base-Base interactions energy: -972.956 where: short stacking energy: -391.434 Base-Backbone interact. energy: 0.153 local terms energy: -439.233605 where: bonds (distance) C4'-P energy: -85.272 bonds (distance) P-C4' energy: -94.154 flat angles C4'-P-C4' energy: -82.742 flat angles P-C4'-P energy: -70.381 tors. eta vs tors. theta energy: -106.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1308.116700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.116700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.116700 (E_RNA) where: Base-Base interactions energy: -891.136 where: short stacking energy: -361.773 Base-Backbone interact. energy: -2.894 local terms energy: -414.086981 where: bonds (distance) C4'-P energy: -85.860 bonds (distance) P-C4' energy: -91.541 flat angles C4'-P-C4' energy: -83.379 flat angles P-C4'-P energy: -50.533 tors. eta vs tors. theta energy: -102.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1129.351769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.351769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.351769 (E_RNA) where: Base-Base interactions energy: -746.335 where: short stacking energy: -305.301 Base-Backbone interact. energy: -1.245 local terms energy: -381.771198 where: bonds (distance) C4'-P energy: -77.666 bonds (distance) P-C4' energy: -86.442 flat angles C4'-P-C4' energy: -73.629 flat angles P-C4'-P energy: -56.840 tors. eta vs tors. theta energy: -87.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1096.471342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.471342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.471342 (E_RNA) where: Base-Base interactions energy: -759.599 where: short stacking energy: -331.656 Base-Backbone interact. energy: -0.954 local terms energy: -335.917616 where: bonds (distance) C4'-P energy: -56.742 bonds (distance) P-C4' energy: -72.663 flat angles C4'-P-C4' energy: -80.591 flat angles P-C4'-P energy: -48.740 tors. eta vs tors. theta energy: -77.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -659.154603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.154603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.154603 (E_RNA) where: Base-Base interactions energy: -342.270 where: short stacking energy: -191.365 Base-Backbone interact. energy: -1.276 local terms energy: -315.609264 where: bonds (distance) C4'-P energy: -76.796 bonds (distance) P-C4' energy: -91.090 flat angles C4'-P-C4' energy: -74.351 flat angles P-C4'-P energy: -50.566 tors. eta vs tors. theta energy: -22.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -566.264637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.264637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.264637 (E_RNA) where: Base-Base interactions energy: -280.906 where: short stacking energy: -151.747 Base-Backbone interact. energy: -2.062 local terms energy: -283.296083 where: bonds (distance) C4'-P energy: -79.996 bonds (distance) P-C4' energy: -82.619 flat angles C4'-P-C4' energy: -66.596 flat angles P-C4'-P energy: -39.565 tors. eta vs tors. theta energy: -14.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -514.329288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.329288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.329288 (E_RNA) where: Base-Base interactions energy: -274.620 where: short stacking energy: -148.827 Base-Backbone interact. energy: -1.195 local terms energy: -238.513729 where: bonds (distance) C4'-P energy: -61.264 bonds (distance) P-C4' energy: -77.897 flat angles C4'-P-C4' energy: -75.677 flat angles P-C4'-P energy: -27.366 tors. eta vs tors. theta energy: 3.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1637.734110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.734110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.734110 (E_RNA) where: Base-Base interactions energy: -1116.393 where: short stacking energy: -511.129 Base-Backbone interact. energy: 0.018 local terms energy: -521.359856 where: bonds (distance) C4'-P energy: -85.886 bonds (distance) P-C4' energy: -95.242 flat angles C4'-P-C4' energy: -102.563 flat angles P-C4'-P energy: -86.822 tors. eta vs tors. theta energy: -150.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1581.201674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.201674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.201674 (E_RNA) where: Base-Base interactions energy: -1077.639 where: short stacking energy: -461.362 Base-Backbone interact. energy: -0.972 local terms energy: -502.590210 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -87.916 flat angles C4'-P-C4' energy: -105.529 flat angles P-C4'-P energy: -68.867 tors. eta vs tors. theta energy: -146.018 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: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1551.946552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.946552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.946552 (E_RNA) where: Base-Base interactions energy: -1090.159 where: short stacking energy: -452.290 Base-Backbone interact. energy: 2.068 local terms energy: -463.855369 where: bonds (distance) C4'-P energy: -69.300 bonds (distance) P-C4' energy: -85.260 flat angles C4'-P-C4' energy: -102.575 flat angles P-C4'-P energy: -68.276 tors. eta vs tors. theta energy: -138.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1332.478140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.478140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.478140 (E_RNA) where: Base-Base interactions energy: -910.206 where: short stacking energy: -370.567 Base-Backbone interact. energy: -2.325 local terms energy: -419.946636 where: bonds (distance) C4'-P energy: -86.430 bonds (distance) P-C4' energy: -91.871 flat angles C4'-P-C4' energy: -90.215 flat angles P-C4'-P energy: -45.750 tors. eta vs tors. theta energy: -105.681 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: 446 Temperature: 1.100000 Total energy: -1333.970844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.970844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.970844 (E_RNA) where: Base-Base interactions energy: -909.864 where: short stacking energy: -405.721 Base-Backbone interact. energy: -1.102 local terms energy: -423.004528 where: bonds (distance) C4'-P energy: -80.651 bonds (distance) P-C4' energy: -95.373 flat angles C4'-P-C4' energy: -90.327 flat angles P-C4'-P energy: -50.716 tors. eta vs tors. theta energy: -105.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1169.028218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.028218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.028218 (E_RNA) where: Base-Base interactions energy: -782.391 where: short stacking energy: -340.583 Base-Backbone interact. energy: -1.220 local terms energy: -385.417095 where: bonds (distance) C4'-P energy: -70.388 bonds (distance) P-C4' energy: -91.542 flat angles C4'-P-C4' energy: -84.294 flat angles P-C4'-P energy: -53.734 tors. eta vs tors. theta energy: -85.459 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: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1114.051408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.051408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.051408 (E_RNA) where: Base-Base interactions energy: -716.051 where: short stacking energy: -315.688 Base-Backbone interact. energy: 4.931 local terms energy: -402.931030 where: bonds (distance) C4'-P energy: -77.797 bonds (distance) P-C4' energy: -93.107 flat angles C4'-P-C4' energy: -89.149 flat angles P-C4'-P energy: -47.613 tors. eta vs tors. theta energy: -95.264 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: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -592.023478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.023478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.023478 (E_RNA) where: Base-Base interactions energy: -335.847 where: short stacking energy: -176.610 Base-Backbone interact. energy: -0.471 local terms energy: -255.706083 where: bonds (distance) C4'-P energy: -53.964 bonds (distance) P-C4' energy: -76.682 flat angles C4'-P-C4' energy: -77.736 flat angles P-C4'-P energy: -40.646 tors. eta vs tors. theta energy: -6.679 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: 9 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -582.865339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.865339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.865339 (E_RNA) where: Base-Base interactions energy: -294.727 where: short stacking energy: -179.179 Base-Backbone interact. energy: -0.590 local terms energy: -287.548409 where: bonds (distance) C4'-P energy: -89.173 bonds (distance) P-C4' energy: -85.934 flat angles C4'-P-C4' energy: -56.307 flat angles P-C4'-P energy: -35.910 tors. eta vs tors. theta energy: -20.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -539.833936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.833936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.833936 (E_RNA) where: Base-Base interactions energy: -291.214 where: short stacking energy: -136.658 Base-Backbone interact. energy: -0.713 local terms energy: -247.906335 where: bonds (distance) C4'-P energy: -76.957 bonds (distance) P-C4' energy: -67.060 flat angles C4'-P-C4' energy: -61.926 flat angles P-C4'-P energy: -41.487 tors. eta vs tors. theta energy: -0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1657.701284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.701284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.701284 (E_RNA) where: Base-Base interactions energy: -1130.763 where: short stacking energy: -475.315 Base-Backbone interact. energy: 0.641 local terms energy: -527.579128 where: bonds (distance) C4'-P energy: -97.231 bonds (distance) P-C4' energy: -101.045 flat angles C4'-P-C4' energy: -107.554 flat angles P-C4'-P energy: -73.223 tors. eta vs tors. theta energy: -148.526 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: 5 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1579.892687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.892687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.892687 (E_RNA) where: Base-Base interactions energy: -1082.794 where: short stacking energy: -468.403 Base-Backbone interact. energy: -3.793 local terms energy: -493.305466 where: bonds (distance) C4'-P energy: -90.793 bonds (distance) P-C4' energy: -72.462 flat angles C4'-P-C4' energy: -105.985 flat angles P-C4'-P energy: -73.719 tors. eta vs tors. theta energy: -150.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1523.918475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.918475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.918475 (E_RNA) where: Base-Base interactions energy: -1048.749 where: short stacking energy: -430.415 Base-Backbone interact. energy: 0.845 local terms energy: -476.014368 where: bonds (distance) C4'-P energy: -78.665 bonds (distance) P-C4' energy: -77.539 flat angles C4'-P-C4' energy: -104.535 flat angles P-C4'-P energy: -74.464 tors. eta vs tors. theta energy: -140.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1360.379182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.379182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.379182 (E_RNA) where: Base-Base interactions energy: -922.111 where: short stacking energy: -392.950 Base-Backbone interact. energy: -3.419 local terms energy: -434.848716 where: bonds (distance) C4'-P energy: -83.146 bonds (distance) P-C4' energy: -94.018 flat angles C4'-P-C4' energy: -92.742 flat angles P-C4'-P energy: -64.449 tors. eta vs tors. theta energy: -100.494 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: 447 Temperature: 1.100000 Total energy: -1361.501536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.501536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.501536 (E_RNA) where: Base-Base interactions energy: -932.492 where: short stacking energy: -399.580 Base-Backbone interact. energy: -0.490 local terms energy: -428.519017 where: bonds (distance) C4'-P energy: -73.010 bonds (distance) P-C4' energy: -77.763 flat angles C4'-P-C4' energy: -99.636 flat angles P-C4'-P energy: -58.067 tors. eta vs tors. theta energy: -120.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1190.395101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.395101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.395101 (E_RNA) where: Base-Base interactions energy: -800.354 where: short stacking energy: -319.338 Base-Backbone interact. energy: -1.546 local terms energy: -388.494295 where: bonds (distance) C4'-P energy: -75.415 bonds (distance) P-C4' energy: -85.736 flat angles C4'-P-C4' energy: -76.904 flat angles P-C4'-P energy: -64.228 tors. eta vs tors. theta energy: -86.210 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: 3 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1107.118344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.118344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.118344 (E_RNA) where: Base-Base interactions energy: -712.297 where: short stacking energy: -307.703 Base-Backbone interact. energy: 2.752 local terms energy: -397.573223 where: bonds (distance) C4'-P energy: -85.831 bonds (distance) P-C4' energy: -87.894 flat angles C4'-P-C4' energy: -84.668 flat angles P-C4'-P energy: -57.504 tors. eta vs tors. theta energy: -81.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -578.248554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.248554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.248554 (E_RNA) where: Base-Base interactions energy: -295.297 where: short stacking energy: -164.241 Base-Backbone interact. energy: 5.221 local terms energy: -288.173062 where: bonds (distance) C4'-P energy: -75.643 bonds (distance) P-C4' energy: -81.654 flat angles C4'-P-C4' energy: -77.012 flat angles P-C4'-P energy: -42.759 tors. eta vs tors. theta energy: -11.106 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: 9, replica: 9 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -546.571703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.571703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.571703 (E_RNA) where: Base-Base interactions energy: -280.455 where: short stacking energy: -149.749 Base-Backbone interact. energy: 0.468 local terms energy: -266.585371 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -77.251 flat angles C4'-P-C4' energy: -79.769 flat angles P-C4'-P energy: -46.249 tors. eta vs tors. theta energy: 7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -519.193347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.193347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.193347 (E_RNA) where: Base-Base interactions energy: -258.765 where: short stacking energy: -140.025 Base-Backbone interact. energy: -0.878 local terms energy: -259.550501 where: bonds (distance) C4'-P energy: -74.813 bonds (distance) P-C4' energy: -82.141 flat angles C4'-P-C4' energy: -59.088 flat angles P-C4'-P energy: -45.244 tors. eta vs tors. theta energy: 1.735 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: 1, replica: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1651.725842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.725842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.725842 (E_RNA) where: Base-Base interactions energy: -1122.829 where: short stacking energy: -501.912 Base-Backbone interact. energy: 0.368 local terms energy: -529.264603 where: bonds (distance) C4'-P energy: -92.997 bonds (distance) P-C4' energy: -91.392 flat angles C4'-P-C4' energy: -108.937 flat angles P-C4'-P energy: -76.514 tors. eta vs tors. theta energy: -159.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1577.335832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.335832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.335832 (E_RNA) where: Base-Base interactions energy: -1068.216 where: short stacking energy: -477.065 Base-Backbone interact. energy: -1.484 local terms energy: -507.635584 where: bonds (distance) C4'-P energy: -84.341 bonds (distance) P-C4' energy: -100.916 flat angles C4'-P-C4' energy: -100.652 flat angles P-C4'-P energy: -73.118 tors. eta vs tors. theta energy: -148.610 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: 448 Temperature: 1.000000 Total energy: -1541.919775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.919775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.919775 (E_RNA) where: Base-Base interactions energy: -1088.973 where: short stacking energy: -459.858 Base-Backbone interact. energy: -1.244 local terms energy: -451.702615 where: bonds (distance) C4'-P energy: -80.226 bonds (distance) P-C4' energy: -76.088 flat angles C4'-P-C4' energy: -94.747 flat angles P-C4'-P energy: -67.368 tors. eta vs tors. theta energy: -133.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1379.695262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.695262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.695262 (E_RNA) where: Base-Base interactions energy: -922.794 where: short stacking energy: -378.216 Base-Backbone interact. energy: -1.838 local terms energy: -455.062964 where: bonds (distance) C4'-P energy: -89.652 bonds (distance) P-C4' energy: -90.421 flat angles C4'-P-C4' energy: -94.535 flat angles P-C4'-P energy: -67.535 tors. eta vs tors. theta energy: -112.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1352.523101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.523101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.523101 (E_RNA) where: Base-Base interactions energy: -909.234 where: short stacking energy: -375.000 Base-Backbone interact. energy: -2.184 local terms energy: -441.104242 where: bonds (distance) C4'-P energy: -84.785 bonds (distance) P-C4' energy: -105.270 flat angles C4'-P-C4' energy: -84.325 flat angles P-C4'-P energy: -60.415 tors. eta vs tors. theta energy: -106.309 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: 6 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1185.121666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.121666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.121666 (E_RNA) where: Base-Base interactions energy: -786.355 where: short stacking energy: -349.572 Base-Backbone interact. energy: -0.818 local terms energy: -397.949045 where: bonds (distance) C4'-P energy: -87.479 bonds (distance) P-C4' energy: -82.277 flat angles C4'-P-C4' energy: -81.572 flat angles P-C4'-P energy: -57.651 tors. eta vs tors. theta energy: -88.970 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: 3 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1058.424454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.424454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.424454 (E_RNA) where: Base-Base interactions energy: -684.823 where: short stacking energy: -310.653 Base-Backbone interact. energy: -1.770 local terms energy: -371.830917 where: bonds (distance) C4'-P energy: -79.454 bonds (distance) P-C4' energy: -70.428 flat angles C4'-P-C4' energy: -82.154 flat angles P-C4'-P energy: -57.339 tors. eta vs tors. theta energy: -82.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -634.633986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.633986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.633986 (E_RNA) where: Base-Base interactions energy: -346.390 where: short stacking energy: -158.859 Base-Backbone interact. energy: 7.280 local terms energy: -295.524107 where: bonds (distance) C4'-P energy: -70.959 bonds (distance) P-C4' energy: -82.506 flat angles C4'-P-C4' energy: -75.211 flat angles P-C4'-P energy: -56.994 tors. eta vs tors. theta energy: -9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -540.884688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.884688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.884688 (E_RNA) where: Base-Base interactions energy: -291.051 where: short stacking energy: -162.348 Base-Backbone interact. energy: -1.145 local terms energy: -248.688857 where: bonds (distance) C4'-P energy: -70.093 bonds (distance) P-C4' energy: -59.754 flat angles C4'-P-C4' energy: -75.682 flat angles P-C4'-P energy: -32.732 tors. eta vs tors. theta energy: -10.428 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: 448 Temperature: 1.350000 Total energy: -494.222816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.222816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.222816 (E_RNA) where: Base-Base interactions energy: -253.370 where: short stacking energy: -138.533 Base-Backbone interact. energy: -0.519 local terms energy: -240.333572 where: bonds (distance) C4'-P energy: -60.107 bonds (distance) P-C4' energy: -66.682 flat angles C4'-P-C4' energy: -66.801 flat angles P-C4'-P energy: -32.223 tors. eta vs tors. theta energy: -14.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1658.553081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.553081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.553081 (E_RNA) where: Base-Base interactions energy: -1127.367 where: short stacking energy: -487.794 Base-Backbone interact. energy: -1.398 local terms energy: -529.788063 where: bonds (distance) C4'-P energy: -89.831 bonds (distance) P-C4' energy: -90.019 flat angles C4'-P-C4' energy: -115.620 flat angles P-C4'-P energy: -73.992 tors. eta vs tors. theta energy: -160.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1597.150202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.150202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.150202 (E_RNA) where: Base-Base interactions energy: -1091.141 where: short stacking energy: -493.391 Base-Backbone interact. energy: -0.414 local terms energy: -505.595796 where: bonds (distance) C4'-P energy: -84.985 bonds (distance) P-C4' energy: -98.890 flat angles C4'-P-C4' energy: -100.430 flat angles P-C4'-P energy: -70.213 tors. eta vs tors. theta energy: -151.078 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: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1520.949852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.949852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.949852 (E_RNA) where: Base-Base interactions energy: -1074.992 where: short stacking energy: -454.765 Base-Backbone interact. energy: -3.490 local terms energy: -442.468184 where: bonds (distance) C4'-P energy: -73.467 bonds (distance) P-C4' energy: -74.653 flat angles C4'-P-C4' energy: -97.745 flat angles P-C4'-P energy: -68.432 tors. eta vs tors. theta energy: -128.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1408.512844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.512844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.512844 (E_RNA) where: Base-Base interactions energy: -988.378 where: short stacking energy: -393.330 Base-Backbone interact. energy: 4.222 local terms energy: -424.357479 where: bonds (distance) C4'-P energy: -67.332 bonds (distance) P-C4' energy: -89.173 flat angles C4'-P-C4' energy: -89.815 flat angles P-C4'-P energy: -65.259 tors. eta vs tors. theta energy: -112.778 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: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1317.747561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.747561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.747561 (E_RNA) where: Base-Base interactions energy: -890.857 where: short stacking energy: -383.294 Base-Backbone interact. energy: 7.712 local terms energy: -434.603037 where: bonds (distance) C4'-P energy: -83.711 bonds (distance) P-C4' energy: -86.870 flat angles C4'-P-C4' energy: -99.864 flat angles P-C4'-P energy: -58.649 tors. eta vs tors. theta energy: -105.509 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: 6, replica: 6 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1183.510264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.510264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.510264 (E_RNA) where: Base-Base interactions energy: -776.813 where: short stacking energy: -325.133 Base-Backbone interact. energy: 0.097 local terms energy: -406.793543 where: bonds (distance) C4'-P energy: -65.016 bonds (distance) P-C4' energy: -92.194 flat angles C4'-P-C4' energy: -90.731 flat angles P-C4'-P energy: -60.992 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: 7, replica: 3 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -965.695119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.695119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.695119 (E_RNA) where: Base-Base interactions energy: -613.769 where: short stacking energy: -278.263 Base-Backbone interact. energy: -1.568 local terms energy: -350.358424 where: bonds (distance) C4'-P energy: -66.451 bonds (distance) P-C4' energy: -81.485 flat angles C4'-P-C4' energy: -88.322 flat angles P-C4'-P energy: -48.398 tors. eta vs tors. theta energy: -65.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -607.506089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.506089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.506089 (E_RNA) where: Base-Base interactions energy: -290.002 where: short stacking energy: -184.188 Base-Backbone interact. energy: -0.412 local terms energy: -317.092732 where: bonds (distance) C4'-P energy: -78.760 bonds (distance) P-C4' energy: -89.437 flat angles C4'-P-C4' energy: -82.557 flat angles P-C4'-P energy: -44.368 tors. eta vs tors. theta energy: -21.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -558.193756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.193756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.193756 (E_RNA) where: Base-Base interactions energy: -283.464 where: short stacking energy: -156.843 Base-Backbone interact. energy: -1.015 local terms energy: -273.715384 where: bonds (distance) C4'-P energy: -80.787 bonds (distance) P-C4' energy: -76.936 flat angles C4'-P-C4' energy: -64.390 flat angles P-C4'-P energy: -44.878 tors. eta vs tors. theta energy: -6.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -493.792861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.792861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.792861 (E_RNA) where: Base-Base interactions energy: -252.527 where: short stacking energy: -137.236 Base-Backbone interact. energy: 0.043 local terms energy: -241.309368 where: bonds (distance) C4'-P energy: -66.709 bonds (distance) P-C4' energy: -80.010 flat angles C4'-P-C4' energy: -70.173 flat angles P-C4'-P energy: -24.073 tors. eta vs tors. theta energy: -0.343 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: 1, replica: 1 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1646.422275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.422275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.422275 (E_RNA) where: Base-Base interactions energy: -1118.578 where: short stacking energy: -482.644 Base-Backbone interact. energy: -1.164 local terms energy: -526.680342 where: bonds (distance) C4'-P energy: -89.600 bonds (distance) P-C4' energy: -99.681 flat angles C4'-P-C4' energy: -114.136 flat angles P-C4'-P energy: -70.452 tors. eta vs tors. theta energy: -152.812 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: 5 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1608.622516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.622516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.622516 (E_RNA) where: Base-Base interactions energy: -1072.993 where: short stacking energy: -491.534 Base-Backbone interact. energy: -1.797 local terms energy: -533.832467 where: bonds (distance) C4'-P energy: -96.023 bonds (distance) P-C4' energy: -96.375 flat angles C4'-P-C4' energy: -109.093 flat angles P-C4'-P energy: -79.553 tors. eta vs tors. theta energy: -152.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1518.167767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.167767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.167767 (E_RNA) where: Base-Base interactions energy: -1048.762 where: short stacking energy: -454.605 Base-Backbone interact. energy: 0.728 local terms energy: -470.133796 where: bonds (distance) C4'-P energy: -77.248 bonds (distance) P-C4' energy: -83.863 flat angles C4'-P-C4' energy: -110.008 flat angles P-C4'-P energy: -59.612 tors. eta vs tors. theta energy: -139.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1410.147482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.147482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.147482 (E_RNA) where: Base-Base interactions energy: -967.412 where: short stacking energy: -404.816 Base-Backbone interact. energy: -1.833 local terms energy: -440.902595 where: bonds (distance) C4'-P energy: -86.168 bonds (distance) P-C4' energy: -85.909 flat angles C4'-P-C4' energy: -100.233 flat angles P-C4'-P energy: -53.759 tors. eta vs tors. theta energy: -114.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1318.691482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.691482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.691482 (E_RNA) where: Base-Base interactions energy: -889.961 where: short stacking energy: -376.718 Base-Backbone interact. energy: 2.279 local terms energy: -431.009356 where: bonds (distance) C4'-P energy: -82.180 bonds (distance) P-C4' energy: -79.568 flat angles C4'-P-C4' energy: -98.028 flat angles P-C4'-P energy: -62.875 tors. eta vs tors. theta energy: -108.359 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: 6, replica: 6 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1196.244497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.244497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.244497 (E_RNA) where: Base-Base interactions energy: -793.930 where: short stacking energy: -336.887 Base-Backbone interact. energy: -2.360 local terms energy: -399.954559 where: bonds (distance) C4'-P energy: -78.130 bonds (distance) P-C4' energy: -87.370 flat angles C4'-P-C4' energy: -84.709 flat angles P-C4'-P energy: -56.199 tors. eta vs tors. theta energy: -93.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1006.819392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.819392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.819392 (E_RNA) where: Base-Base interactions energy: -629.971 where: short stacking energy: -254.333 Base-Backbone interact. energy: 1.368 local terms energy: -378.215730 where: bonds (distance) C4'-P energy: -91.576 bonds (distance) P-C4' energy: -88.102 flat angles C4'-P-C4' energy: -75.872 flat angles P-C4'-P energy: -62.773 tors. eta vs tors. theta energy: -59.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -562.717711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.717711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.717711 (E_RNA) where: Base-Base interactions energy: -261.712 where: short stacking energy: -150.426 Base-Backbone interact. energy: -2.038 local terms energy: -298.968128 where: bonds (distance) C4'-P energy: -83.688 bonds (distance) P-C4' energy: -93.077 flat angles C4'-P-C4' energy: -85.834 flat angles P-C4'-P energy: -37.112 tors. eta vs tors. theta energy: 0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -556.694974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.694974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.694974 (E_RNA) where: Base-Base interactions energy: -287.705 where: short stacking energy: -160.378 Base-Backbone interact. energy: 0.891 local terms energy: -269.880593 where: bonds (distance) C4'-P energy: -72.827 bonds (distance) P-C4' energy: -87.697 flat angles C4'-P-C4' energy: -78.904 flat angles P-C4'-P energy: -23.931 tors. eta vs tors. theta energy: -6.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -547.375841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.375841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.375841 (E_RNA) where: Base-Base interactions energy: -291.411 where: short stacking energy: -155.125 Base-Backbone interact. energy: 0.073 local terms energy: -256.037853 where: bonds (distance) C4'-P energy: -63.221 bonds (distance) P-C4' energy: -88.523 flat angles C4'-P-C4' energy: -56.878 flat angles P-C4'-P energy: -45.140 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1628.795120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.795120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.795120 (E_RNA) where: Base-Base interactions energy: -1110.940 where: short stacking energy: -480.213 Base-Backbone interact. energy: -1.866 local terms energy: -515.989105 where: bonds (distance) C4'-P energy: -87.607 bonds (distance) P-C4' energy: -99.729 flat angles C4'-P-C4' energy: -107.264 flat angles P-C4'-P energy: -73.498 tors. eta vs tors. theta energy: -147.891 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: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1601.815223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.815223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.815223 (E_RNA) where: Base-Base interactions energy: -1093.874 where: short stacking energy: -466.086 Base-Backbone interact. energy: -1.000 local terms energy: -506.941593 where: bonds (distance) C4'-P energy: -86.712 bonds (distance) P-C4' energy: -99.783 flat angles C4'-P-C4' energy: -106.685 flat angles P-C4'-P energy: -64.410 tors. eta vs tors. theta energy: -149.351 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: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1503.010017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.010017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.010017 (E_RNA) where: Base-Base interactions energy: -1051.211 where: short stacking energy: -433.764 Base-Backbone interact. energy: 3.194 local terms energy: -454.993670 where: bonds (distance) C4'-P energy: -71.061 bonds (distance) P-C4' energy: -79.474 flat angles C4'-P-C4' energy: -97.094 flat angles P-C4'-P energy: -75.598 tors. eta vs tors. theta energy: -131.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1455.544266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.544266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.544266 (E_RNA) where: Base-Base interactions energy: -995.208 where: short stacking energy: -405.803 Base-Backbone interact. energy: -2.955 local terms energy: -457.380628 where: bonds (distance) C4'-P energy: -88.458 bonds (distance) P-C4' energy: -88.017 flat angles C4'-P-C4' energy: -97.855 flat angles P-C4'-P energy: -62.237 tors. eta vs tors. theta energy: -120.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1310.774797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.774797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.774797 (E_RNA) where: Base-Base interactions energy: -898.511 where: short stacking energy: -363.004 Base-Backbone interact. energy: -2.650 local terms energy: -409.613681 where: bonds (distance) C4'-P energy: -85.651 bonds (distance) P-C4' energy: -88.699 flat angles C4'-P-C4' energy: -86.332 flat angles P-C4'-P energy: -53.621 tors. eta vs tors. theta energy: -95.311 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: 6, replica: 6 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1225.880736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.880736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.880736 (E_RNA) where: Base-Base interactions energy: -810.521 where: short stacking energy: -342.045 Base-Backbone interact. energy: -1.139 local terms energy: -414.220451 where: bonds (distance) C4'-P energy: -83.545 bonds (distance) P-C4' energy: -79.669 flat angles C4'-P-C4' energy: -96.371 flat angles P-C4'-P energy: -50.987 tors. eta vs tors. theta energy: -103.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1004.176269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.176269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.176269 (E_RNA) where: Base-Base interactions energy: -628.716 where: short stacking energy: -286.295 Base-Backbone interact. energy: -1.601 local terms energy: -373.859604 where: bonds (distance) C4'-P energy: -84.626 bonds (distance) P-C4' energy: -76.849 flat angles C4'-P-C4' energy: -89.800 flat angles P-C4'-P energy: -53.269 tors. eta vs tors. theta energy: -69.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -602.720552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.720552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.720552 (E_RNA) where: Base-Base interactions energy: -304.923 where: short stacking energy: -180.408 Base-Backbone interact. energy: -1.308 local terms energy: -296.489277 where: bonds (distance) C4'-P energy: -80.122 bonds (distance) P-C4' energy: -88.432 flat angles C4'-P-C4' energy: -66.176 flat angles P-C4'-P energy: -23.814 tors. eta vs tors. theta energy: -37.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -520.062068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.062068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.062068 (E_RNA) where: Base-Base interactions energy: -280.514 where: short stacking energy: -135.011 Base-Backbone interact. energy: 3.815 local terms energy: -243.362914 where: bonds (distance) C4'-P energy: -74.205 bonds (distance) P-C4' energy: -69.445 flat angles C4'-P-C4' energy: -58.729 flat angles P-C4'-P energy: -51.077 tors. eta vs tors. theta energy: 10.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -523.403145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.403145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.403145 (E_RNA) where: Base-Base interactions energy: -269.112 where: short stacking energy: -151.625 Base-Backbone interact. energy: 1.652 local terms energy: -255.943127 where: bonds (distance) C4'-P energy: -59.991 bonds (distance) P-C4' energy: -79.898 flat angles C4'-P-C4' energy: -61.744 flat angles P-C4'-P energy: -47.848 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1634.629405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.629405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.629405 (E_RNA) where: Base-Base interactions energy: -1114.473 where: short stacking energy: -479.084 Base-Backbone interact. energy: 0.884 local terms energy: -521.040161 where: bonds (distance) C4'-P energy: -90.083 bonds (distance) P-C4' energy: -94.157 flat angles C4'-P-C4' energy: -107.224 flat angles P-C4'-P energy: -78.440 tors. eta vs tors. theta energy: -151.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1606.880227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.880227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.880227 (E_RNA) where: Base-Base interactions energy: -1114.036 where: short stacking energy: -486.282 Base-Backbone interact. energy: -0.722 local terms energy: -492.123062 where: bonds (distance) C4'-P energy: -82.931 bonds (distance) P-C4' energy: -84.221 flat angles C4'-P-C4' energy: -95.171 flat angles P-C4'-P energy: -73.431 tors. eta vs tors. theta energy: -156.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1506.885614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.885614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.885614 (E_RNA) where: Base-Base interactions energy: -1046.515 where: short stacking energy: -448.175 Base-Backbone interact. energy: 5.783 local terms energy: -466.153777 where: bonds (distance) C4'-P energy: -74.509 bonds (distance) P-C4' energy: -90.164 flat angles C4'-P-C4' energy: -99.685 flat angles P-C4'-P energy: -64.905 tors. eta vs tors. theta energy: -136.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1436.107175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.107175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.107175 (E_RNA) where: Base-Base interactions energy: -1003.666 where: short stacking energy: -403.267 Base-Backbone interact. energy: -0.546 local terms energy: -431.895141 where: bonds (distance) C4'-P energy: -58.703 bonds (distance) P-C4' energy: -103.487 flat angles C4'-P-C4' energy: -88.720 flat angles P-C4'-P energy: -60.761 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: 5, replica: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1300.974676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.974676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.974676 (E_RNA) where: Base-Base interactions energy: -903.868 where: short stacking energy: -386.598 Base-Backbone interact. energy: -1.438 local terms energy: -395.668959 where: bonds (distance) C4'-P energy: -74.087 bonds (distance) P-C4' energy: -82.525 flat angles C4'-P-C4' energy: -93.725 flat angles P-C4'-P energy: -44.053 tors. eta vs tors. theta energy: -101.279 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: 6, replica: 6 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1247.310754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.310754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.310754 (E_RNA) where: Base-Base interactions energy: -842.427 where: short stacking energy: -351.413 Base-Backbone interact. energy: -0.034 local terms energy: -404.849953 where: bonds (distance) C4'-P energy: -82.971 bonds (distance) P-C4' energy: -76.727 flat angles C4'-P-C4' energy: -90.090 flat angles P-C4'-P energy: -58.292 tors. eta vs tors. theta energy: -96.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -975.881236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.881236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.881236 (E_RNA) where: Base-Base interactions energy: -645.713 where: short stacking energy: -300.397 Base-Backbone interact. energy: 1.856 local terms energy: -332.024355 where: bonds (distance) C4'-P energy: -71.694 bonds (distance) P-C4' energy: -64.690 flat angles C4'-P-C4' energy: -84.141 flat angles P-C4'-P energy: -34.946 tors. eta vs tors. theta energy: -76.553 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: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -581.739570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.739570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.739570 (E_RNA) where: Base-Base interactions energy: -307.527 where: short stacking energy: -170.632 Base-Backbone interact. energy: 0.970 local terms energy: -275.182485 where: bonds (distance) C4'-P energy: -77.796 bonds (distance) P-C4' energy: -81.602 flat angles C4'-P-C4' energy: -67.978 flat angles P-C4'-P energy: -36.103 tors. eta vs tors. theta energy: -11.703 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: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -548.906753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.906753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.906753 (E_RNA) where: Base-Base interactions energy: -272.313 where: short stacking energy: -159.274 Base-Backbone interact. energy: 4.825 local terms energy: -281.418350 where: bonds (distance) C4'-P energy: -67.390 bonds (distance) P-C4' energy: -79.236 flat angles C4'-P-C4' energy: -71.056 flat angles P-C4'-P energy: -49.739 tors. eta vs tors. theta energy: -13.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -503.522193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.522193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.522193 (E_RNA) where: Base-Base interactions energy: -240.772 where: short stacking energy: -139.142 Base-Backbone interact. energy: 0.220 local terms energy: -262.970244 where: bonds (distance) C4'-P energy: -86.525 bonds (distance) P-C4' energy: -78.283 flat angles C4'-P-C4' energy: -74.323 flat angles P-C4'-P energy: -24.848 tors. eta vs tors. theta energy: 1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1632.089408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.089408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.089408 (E_RNA) where: Base-Base interactions energy: -1136.137 where: short stacking energy: -501.594 Base-Backbone interact. energy: -0.312 local terms energy: -495.640904 where: bonds (distance) C4'-P energy: -87.454 bonds (distance) P-C4' energy: -88.721 flat angles C4'-P-C4' energy: -102.802 flat angles P-C4'-P energy: -71.571 tors. eta vs tors. theta energy: -145.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1596.883053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.883053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.883053 (E_RNA) where: Base-Base interactions energy: -1102.648 where: short stacking energy: -476.904 Base-Backbone interact. energy: -2.124 local terms energy: -492.111492 where: bonds (distance) C4'-P energy: -82.904 bonds (distance) P-C4' energy: -93.271 flat angles C4'-P-C4' energy: -95.629 flat angles P-C4'-P energy: -65.750 tors. eta vs tors. theta energy: -154.557 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: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1483.631321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.631321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.631321 (E_RNA) where: Base-Base interactions energy: -1034.529 where: short stacking energy: -431.980 Base-Backbone interact. energy: -0.990 local terms energy: -448.112812 where: bonds (distance) C4'-P energy: -82.037 bonds (distance) P-C4' energy: -79.921 flat angles C4'-P-C4' energy: -99.435 flat angles P-C4'-P energy: -59.636 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: 4, replica: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1446.053930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.053930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.053930 (E_RNA) where: Base-Base interactions energy: -1011.075 where: short stacking energy: -423.850 Base-Backbone interact. energy: 0.848 local terms energy: -435.827157 where: bonds (distance) C4'-P energy: -67.317 bonds (distance) P-C4' energy: -81.357 flat angles C4'-P-C4' energy: -100.971 flat angles P-C4'-P energy: -62.899 tors. eta vs tors. theta energy: -123.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1286.924130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.924130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.924130 (E_RNA) where: Base-Base interactions energy: -859.378 where: short stacking energy: -351.115 Base-Backbone interact. energy: -1.516 local terms energy: -426.030457 where: bonds (distance) C4'-P energy: -84.406 bonds (distance) P-C4' energy: -82.430 flat angles C4'-P-C4' energy: -100.042 flat angles P-C4'-P energy: -68.932 tors. eta vs tors. theta energy: -90.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1224.651918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.651918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.651918 (E_RNA) where: Base-Base interactions energy: -816.603 where: short stacking energy: -334.323 Base-Backbone interact. energy: -0.112 local terms energy: -407.937204 where: bonds (distance) C4'-P energy: -82.405 bonds (distance) P-C4' energy: -91.008 flat angles C4'-P-C4' energy: -88.466 flat angles P-C4'-P energy: -53.689 tors. eta vs tors. theta energy: -92.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -990.123124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.123124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.123124 (E_RNA) where: Base-Base interactions energy: -637.460 where: short stacking energy: -297.729 Base-Backbone interact. energy: -0.136 local terms energy: -352.527006 where: bonds (distance) C4'-P energy: -68.622 bonds (distance) P-C4' energy: -73.451 flat angles C4'-P-C4' energy: -84.882 flat angles P-C4'-P energy: -52.105 tors. eta vs tors. theta energy: -73.468 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: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -566.663742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.663742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.663742 (E_RNA) where: Base-Base interactions energy: -307.550 where: short stacking energy: -167.483 Base-Backbone interact. energy: -0.039 local terms energy: -259.074891 where: bonds (distance) C4'-P energy: -69.076 bonds (distance) P-C4' energy: -75.046 flat angles C4'-P-C4' energy: -59.286 flat angles P-C4'-P energy: -52.900 tors. eta vs tors. theta energy: -2.767 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: 9, replica: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -563.722532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.722532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.722532 (E_RNA) where: Base-Base interactions energy: -295.991 where: short stacking energy: -151.572 Base-Backbone interact. energy: 0.992 local terms energy: -268.723720 where: bonds (distance) C4'-P energy: -71.461 bonds (distance) P-C4' energy: -80.981 flat angles C4'-P-C4' energy: -80.644 flat angles P-C4'-P energy: -30.402 tors. eta vs tors. theta energy: -5.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -510.539628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.539628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.539628 (E_RNA) where: Base-Base interactions energy: -257.199 where: short stacking energy: -138.388 Base-Backbone interact. energy: -1.725 local terms energy: -251.615691 where: bonds (distance) C4'-P energy: -71.378 bonds (distance) P-C4' energy: -61.321 flat angles C4'-P-C4' energy: -59.022 flat angles P-C4'-P energy: -58.327 tors. eta vs tors. theta energy: -1.568 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: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1635.223109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.223109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.223109 (E_RNA) where: Base-Base interactions energy: -1122.144 where: short stacking energy: -483.222 Base-Backbone interact. energy: 0.838 local terms energy: -513.917008 where: bonds (distance) C4'-P energy: -92.989 bonds (distance) P-C4' energy: -94.490 flat angles C4'-P-C4' energy: -107.807 flat angles P-C4'-P energy: -63.538 tors. eta vs tors. theta energy: -155.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1575.485588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.485588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.485588 (E_RNA) where: Base-Base interactions energy: -1081.368 where: short stacking energy: -444.572 Base-Backbone interact. energy: -1.570 local terms energy: -492.547742 where: bonds (distance) C4'-P energy: -90.054 bonds (distance) P-C4' energy: -94.478 flat angles C4'-P-C4' energy: -107.065 flat angles P-C4'-P energy: -54.754 tors. eta vs tors. theta energy: -146.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1480.865539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.865539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.865539 (E_RNA) where: Base-Base interactions energy: -1010.478 where: short stacking energy: -422.845 Base-Backbone interact. energy: -1.552 local terms energy: -468.834646 where: bonds (distance) C4'-P energy: -75.586 bonds (distance) P-C4' energy: -92.561 flat angles C4'-P-C4' energy: -98.910 flat angles P-C4'-P energy: -69.884 tors. eta vs tors. theta energy: -131.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1412.590098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.590098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.590098 (E_RNA) where: Base-Base interactions energy: -968.342 where: short stacking energy: -397.192 Base-Backbone interact. energy: 0.364 local terms energy: -444.611861 where: bonds (distance) C4'-P energy: -73.549 bonds (distance) P-C4' energy: -74.304 flat angles C4'-P-C4' energy: -104.365 flat angles P-C4'-P energy: -66.853 tors. eta vs tors. theta energy: -125.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1276.140432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.140432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.140432 (E_RNA) where: Base-Base interactions energy: -853.176 where: short stacking energy: -362.143 Base-Backbone interact. energy: -2.640 local terms energy: -420.324029 where: bonds (distance) C4'-P energy: -75.288 bonds (distance) P-C4' energy: -84.038 flat angles C4'-P-C4' energy: -93.964 flat angles P-C4'-P energy: -67.292 tors. eta vs tors. theta energy: -99.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1190.733550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.733550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.733550 (E_RNA) where: Base-Base interactions energy: -775.943 where: short stacking energy: -340.572 Base-Backbone interact. energy: -0.841 local terms energy: -413.949801 where: bonds (distance) C4'-P energy: -87.869 bonds (distance) P-C4' energy: -82.770 flat angles C4'-P-C4' energy: -83.946 flat angles P-C4'-P energy: -48.787 tors. eta vs tors. theta energy: -110.577 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: 7, replica: 3 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1022.140876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.140876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.140876 (E_RNA) where: Base-Base interactions energy: -678.572 where: short stacking energy: -285.152 Base-Backbone interact. energy: 9.297 local terms energy: -352.866214 where: bonds (distance) C4'-P energy: -80.998 bonds (distance) P-C4' energy: -89.271 flat angles C4'-P-C4' energy: -74.746 flat angles P-C4'-P energy: -38.420 tors. eta vs tors. theta energy: -69.431 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: 8, replica: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -622.263998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.263998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.263998 (E_RNA) where: Base-Base interactions energy: -325.551 where: short stacking energy: -178.412 Base-Backbone interact. energy: -1.602 local terms energy: -295.111296 where: bonds (distance) C4'-P energy: -72.900 bonds (distance) P-C4' energy: -85.523 flat angles C4'-P-C4' energy: -70.626 flat angles P-C4'-P energy: -53.559 tors. eta vs tors. theta energy: -12.502 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: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -530.595850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.595850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.595850 (E_RNA) where: Base-Base interactions energy: -259.969 where: short stacking energy: -148.945 Base-Backbone interact. energy: 0.428 local terms energy: -271.054874 where: bonds (distance) C4'-P energy: -78.867 bonds (distance) P-C4' energy: -84.116 flat angles C4'-P-C4' energy: -66.122 flat angles P-C4'-P energy: -38.197 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -532.070405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.070405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.070405 (E_RNA) where: Base-Base interactions energy: -269.594 where: short stacking energy: -154.540 Base-Backbone interact. energy: -1.785 local terms energy: -260.691427 where: bonds (distance) C4'-P energy: -76.935 bonds (distance) P-C4' energy: -78.398 flat angles C4'-P-C4' energy: -65.497 flat angles P-C4'-P energy: -36.584 tors. eta vs tors. theta energy: -3.278 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: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1618.231084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.231084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.231084 (E_RNA) where: Base-Base interactions energy: -1103.217 where: short stacking energy: -491.033 Base-Backbone interact. energy: -0.755 local terms energy: -514.259005 where: bonds (distance) C4'-P energy: -91.750 bonds (distance) P-C4' energy: -89.527 flat angles C4'-P-C4' energy: -104.389 flat angles P-C4'-P energy: -77.993 tors. eta vs tors. theta energy: -150.601 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: 2, replica: 5 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1580.532606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.532606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.532606 (E_RNA) where: Base-Base interactions energy: -1081.831 where: short stacking energy: -476.028 Base-Backbone interact. energy: 0.675 local terms energy: -499.376804 where: bonds (distance) C4'-P energy: -78.583 bonds (distance) P-C4' energy: -91.997 flat angles C4'-P-C4' energy: -106.098 flat angles P-C4'-P energy: -81.334 tors. eta vs tors. theta energy: -141.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1452.794874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.794874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.794874 (E_RNA) where: Base-Base interactions energy: -1001.426 where: short stacking energy: -420.629 Base-Backbone interact. energy: -0.549 local terms energy: -450.820110 where: bonds (distance) C4'-P energy: -69.657 bonds (distance) P-C4' energy: -91.790 flat angles C4'-P-C4' energy: -102.041 flat angles P-C4'-P energy: -55.895 tors. eta vs tors. theta energy: -131.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1399.433117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.433117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.433117 (E_RNA) where: Base-Base interactions energy: -949.328 where: short stacking energy: -408.411 Base-Backbone interact. energy: -0.931 local terms energy: -449.174471 where: bonds (distance) C4'-P energy: -84.162 bonds (distance) P-C4' energy: -92.419 flat angles C4'-P-C4' energy: -104.253 flat angles P-C4'-P energy: -68.923 tors. eta vs tors. theta energy: -99.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1284.419381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.419381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.419381 (E_RNA) where: Base-Base interactions energy: -863.410 where: short stacking energy: -366.702 Base-Backbone interact. energy: -1.858 local terms energy: -419.151080 where: bonds (distance) C4'-P energy: -78.753 bonds (distance) P-C4' energy: -76.770 flat angles C4'-P-C4' energy: -104.722 flat angles P-C4'-P energy: -60.778 tors. eta vs tors. theta energy: -98.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1188.009381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.009381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.009381 (E_RNA) where: Base-Base interactions energy: -795.014 where: short stacking energy: -369.224 Base-Backbone interact. energy: -1.937 local terms energy: -391.058421 where: bonds (distance) C4'-P energy: -70.631 bonds (distance) P-C4' energy: -82.824 flat angles C4'-P-C4' energy: -89.607 flat angles P-C4'-P energy: -53.439 tors. eta vs tors. theta energy: -94.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1052.502491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.502491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.502491 (E_RNA) where: Base-Base interactions energy: -678.105 where: short stacking energy: -311.914 Base-Backbone interact. energy: 2.989 local terms energy: -377.386234 where: bonds (distance) C4'-P energy: -66.219 bonds (distance) P-C4' energy: -80.548 flat angles C4'-P-C4' energy: -80.145 flat angles P-C4'-P energy: -58.262 tors. eta vs tors. theta energy: -92.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -626.262374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.262374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.262374 (E_RNA) where: Base-Base interactions energy: -338.719 where: short stacking energy: -192.600 Base-Backbone interact. energy: -1.565 local terms energy: -285.978500 where: bonds (distance) C4'-P energy: -88.810 bonds (distance) P-C4' energy: -65.917 flat angles C4'-P-C4' energy: -70.535 flat angles P-C4'-P energy: -41.465 tors. eta vs tors. theta energy: -19.251 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: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -510.439606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.439606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.439606 (E_RNA) where: Base-Base interactions energy: -254.464 where: short stacking energy: -128.345 Base-Backbone interact. energy: -2.455 local terms energy: -253.520639 where: bonds (distance) C4'-P energy: -69.063 bonds (distance) P-C4' energy: -80.086 flat angles C4'-P-C4' energy: -73.968 flat angles P-C4'-P energy: -31.706 tors. eta vs tors. theta energy: 1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -535.233917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.233917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.233917 (E_RNA) where: Base-Base interactions energy: -249.653 where: short stacking energy: -125.143 Base-Backbone interact. energy: 0.127 local terms energy: -285.708375 where: bonds (distance) C4'-P energy: -74.519 bonds (distance) P-C4' energy: -87.605 flat angles C4'-P-C4' energy: -79.562 flat angles P-C4'-P energy: -36.005 tors. eta vs tors. theta energy: -8.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1617.093181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.093181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.093181 (E_RNA) where: Base-Base interactions energy: -1086.194 where: short stacking energy: -461.640 Base-Backbone interact. energy: -1.056 local terms energy: -529.842810 where: bonds (distance) C4'-P energy: -100.862 bonds (distance) P-C4' energy: -99.492 flat angles C4'-P-C4' energy: -101.485 flat angles P-C4'-P energy: -83.667 tors. eta vs tors. theta energy: -144.337 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: 456 Temperature: 0.950000 Total energy: -1583.741340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.741340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.741340 (E_RNA) where: Base-Base interactions energy: -1067.106 where: short stacking energy: -452.420 Base-Backbone interact. energy: -1.682 local terms energy: -514.953324 where: bonds (distance) C4'-P energy: -87.078 bonds (distance) P-C4' energy: -103.552 flat angles C4'-P-C4' energy: -107.505 flat angles P-C4'-P energy: -67.372 tors. eta vs tors. theta energy: -149.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1463.260509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.260509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.260509 (E_RNA) where: Base-Base interactions energy: -1017.489 where: short stacking energy: -419.633 Base-Backbone interact. energy: -2.203 local terms energy: -443.569156 where: bonds (distance) C4'-P energy: -78.043 bonds (distance) P-C4' energy: -90.512 flat angles C4'-P-C4' energy: -97.362 flat angles P-C4'-P energy: -52.289 tors. eta vs tors. theta energy: -125.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1481.612606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.612606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.612606 (E_RNA) where: Base-Base interactions energy: -1025.199 where: short stacking energy: -415.715 Base-Backbone interact. energy: -2.431 local terms energy: -453.983272 where: bonds (distance) C4'-P energy: -80.040 bonds (distance) P-C4' energy: -89.716 flat angles C4'-P-C4' energy: -97.129 flat angles P-C4'-P energy: -61.655 tors. eta vs tors. theta energy: -125.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1242.383307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.383307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.383307 (E_RNA) where: Base-Base interactions energy: -850.293 where: short stacking energy: -383.518 Base-Backbone interact. energy: -1.326 local terms energy: -390.763562 where: bonds (distance) C4'-P energy: -74.954 bonds (distance) P-C4' energy: -78.518 flat angles C4'-P-C4' energy: -85.929 flat angles P-C4'-P energy: -45.735 tors. eta vs tors. theta energy: -105.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1225.331732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.331732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.331732 (E_RNA) where: Base-Base interactions energy: -828.657 where: short stacking energy: -359.068 Base-Backbone interact. energy: -0.909 local terms energy: -395.765519 where: bonds (distance) C4'-P energy: -77.102 bonds (distance) P-C4' energy: -65.367 flat angles C4'-P-C4' energy: -94.861 flat angles P-C4'-P energy: -68.551 tors. eta vs tors. theta energy: -89.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1026.202181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.202181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.202181 (E_RNA) where: Base-Base interactions energy: -674.943 where: short stacking energy: -288.890 Base-Backbone interact. energy: -1.932 local terms energy: -349.327361 where: bonds (distance) C4'-P energy: -70.333 bonds (distance) P-C4' energy: -73.884 flat angles C4'-P-C4' energy: -70.185 flat angles P-C4'-P energy: -57.160 tors. eta vs tors. theta energy: -77.766 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: 10 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -630.926356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.926356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.926356 (E_RNA) where: Base-Base interactions energy: -352.977 where: short stacking energy: -205.037 Base-Backbone interact. energy: -2.592 local terms energy: -275.357404 where: bonds (distance) C4'-P energy: -64.218 bonds (distance) P-C4' energy: -71.774 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -48.414 tors. eta vs tors. theta energy: -19.834 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: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -602.799714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.799714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.799714 (E_RNA) where: Base-Base interactions energy: -354.773 where: short stacking energy: -172.608 Base-Backbone interact. energy: 10.319 local terms energy: -258.346101 where: bonds (distance) C4'-P energy: -68.042 bonds (distance) P-C4' energy: -74.993 flat angles C4'-P-C4' energy: -50.415 flat angles P-C4'-P energy: -48.411 tors. eta vs tors. theta energy: -16.485 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: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -535.851227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.851227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.851227 (E_RNA) where: Base-Base interactions energy: -261.836 where: short stacking energy: -153.313 Base-Backbone interact. energy: -0.250 local terms energy: -273.765147 where: bonds (distance) C4'-P energy: -72.368 bonds (distance) P-C4' energy: -95.205 flat angles C4'-P-C4' energy: -63.916 flat angles P-C4'-P energy: -38.358 tors. eta vs tors. theta energy: -3.918 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: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1626.224130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.224130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.224130 (E_RNA) where: Base-Base interactions energy: -1110.382 where: short stacking energy: -469.673 Base-Backbone interact. energy: -2.175 local terms energy: -513.667236 where: bonds (distance) C4'-P energy: -83.130 bonds (distance) P-C4' energy: -98.431 flat angles C4'-P-C4' energy: -103.271 flat angles P-C4'-P energy: -75.926 tors. eta vs tors. theta energy: -152.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1606.996701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.996701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.996701 (E_RNA) where: Base-Base interactions energy: -1073.061 where: short stacking energy: -484.518 Base-Backbone interact. energy: -1.105 local terms energy: -532.830730 where: bonds (distance) C4'-P energy: -97.039 bonds (distance) P-C4' energy: -92.430 flat angles C4'-P-C4' energy: -108.895 flat angles P-C4'-P energy: -75.486 tors. eta vs tors. theta energy: -158.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1490.106074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.106074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.106074 (E_RNA) where: Base-Base interactions energy: -1034.178 where: short stacking energy: -442.458 Base-Backbone interact. energy: 4.296 local terms energy: -460.224034 where: bonds (distance) C4'-P energy: -86.412 bonds (distance) P-C4' energy: -88.445 flat angles C4'-P-C4' energy: -92.000 flat angles P-C4'-P energy: -67.620 tors. eta vs tors. theta energy: -125.747 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: 4, replica: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1436.952631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.952631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.952631 (E_RNA) where: Base-Base interactions energy: -994.020 where: short stacking energy: -426.778 Base-Backbone interact. energy: 1.488 local terms energy: -444.420535 where: bonds (distance) C4'-P energy: -78.607 bonds (distance) P-C4' energy: -74.501 flat angles C4'-P-C4' energy: -105.286 flat angles P-C4'-P energy: -66.194 tors. eta vs tors. theta energy: -119.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1255.195924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.195924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.195924 (E_RNA) where: Base-Base interactions energy: -833.875 where: short stacking energy: -359.022 Base-Backbone interact. energy: -1.586 local terms energy: -419.735728 where: bonds (distance) C4'-P energy: -82.476 bonds (distance) P-C4' energy: -91.551 flat angles C4'-P-C4' energy: -86.988 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -114.430 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: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1208.480130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.480130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.480130 (E_RNA) where: Base-Base interactions energy: -803.508 where: short stacking energy: -352.375 Base-Backbone interact. energy: -3.748 local terms energy: -401.223404 where: bonds (distance) C4'-P energy: -86.043 bonds (distance) P-C4' energy: -87.792 flat angles C4'-P-C4' energy: -81.361 flat angles P-C4'-P energy: -58.456 tors. eta vs tors. theta energy: -87.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -949.803489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.803489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.803489 (E_RNA) where: Base-Base interactions energy: -610.545 where: short stacking energy: -268.991 Base-Backbone interact. energy: 3.302 local terms energy: -342.560988 where: bonds (distance) C4'-P energy: -72.139 bonds (distance) P-C4' energy: -85.356 flat angles C4'-P-C4' energy: -84.466 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -57.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -649.025973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.025973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.025973 (E_RNA) where: Base-Base interactions energy: -336.289 where: short stacking energy: -189.045 Base-Backbone interact. energy: 0.321 local terms energy: -313.058275 where: bonds (distance) C4'-P energy: -82.691 bonds (distance) P-C4' energy: -84.463 flat angles C4'-P-C4' energy: -72.865 flat angles P-C4'-P energy: -49.791 tors. eta vs tors. theta energy: -23.248 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: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -582.822805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.822805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.822805 (E_RNA) where: Base-Base interactions energy: -303.033 where: short stacking energy: -174.116 Base-Backbone interact. energy: 0.523 local terms energy: -280.312415 where: bonds (distance) C4'-P energy: -83.659 bonds (distance) P-C4' energy: -63.928 flat angles C4'-P-C4' energy: -76.630 flat angles P-C4'-P energy: -44.495 tors. eta vs tors. theta energy: -11.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -512.959724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.959724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.959724 (E_RNA) where: Base-Base interactions energy: -265.516 where: short stacking energy: -152.916 Base-Backbone interact. energy: 0.865 local terms energy: -248.308262 where: bonds (distance) C4'-P energy: -68.842 bonds (distance) P-C4' energy: -64.904 flat angles C4'-P-C4' energy: -64.710 flat angles P-C4'-P energy: -48.064 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1620.761562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.761562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.761562 (E_RNA) where: Base-Base interactions energy: -1101.071 where: short stacking energy: -471.699 Base-Backbone interact. energy: 0.299 local terms energy: -519.989189 where: bonds (distance) C4'-P energy: -98.864 bonds (distance) P-C4' energy: -91.336 flat angles C4'-P-C4' energy: -96.603 flat angles P-C4'-P energy: -78.319 tors. eta vs tors. theta energy: -154.867 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: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1578.451573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.451573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.451573 (E_RNA) where: Base-Base interactions energy: -1068.752 where: short stacking energy: -449.862 Base-Backbone interact. energy: -1.774 local terms energy: -507.924857 where: bonds (distance) C4'-P energy: -101.035 bonds (distance) P-C4' energy: -91.756 flat angles C4'-P-C4' energy: -105.087 flat angles P-C4'-P energy: -70.012 tors. eta vs tors. theta energy: -140.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1493.445416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.445416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.445416 (E_RNA) where: Base-Base interactions energy: -1010.667 where: short stacking energy: -426.581 Base-Backbone interact. energy: -1.458 local terms energy: -481.320171 where: bonds (distance) C4'-P energy: -85.648 bonds (distance) P-C4' energy: -95.219 flat angles C4'-P-C4' energy: -98.207 flat angles P-C4'-P energy: -74.639 tors. eta vs tors. theta energy: -127.608 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: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1424.443022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.443022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.443022 (E_RNA) where: Base-Base interactions energy: -975.766 where: short stacking energy: -394.660 Base-Backbone interact. energy: -2.921 local terms energy: -445.756040 where: bonds (distance) C4'-P energy: -67.933 bonds (distance) P-C4' energy: -93.305 flat angles C4'-P-C4' energy: -89.522 flat angles P-C4'-P energy: -66.122 tors. eta vs tors. theta energy: -128.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1248.214586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.214586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.214586 (E_RNA) where: Base-Base interactions energy: -824.604 where: short stacking energy: -342.642 Base-Backbone interact. energy: -1.515 local terms energy: -422.095630 where: bonds (distance) C4'-P energy: -84.738 bonds (distance) P-C4' energy: -89.399 flat angles C4'-P-C4' energy: -82.561 flat angles P-C4'-P energy: -67.263 tors. eta vs tors. theta energy: -98.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1240.634503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.634503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.634503 (E_RNA) where: Base-Base interactions energy: -822.826 where: short stacking energy: -378.795 Base-Backbone interact. energy: -1.685 local terms energy: -416.123223 where: bonds (distance) C4'-P energy: -78.565 bonds (distance) P-C4' energy: -99.070 flat angles C4'-P-C4' energy: -88.171 flat angles P-C4'-P energy: -38.550 tors. eta vs tors. theta energy: -111.768 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: 3 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -998.279474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.279474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.279474 (E_RNA) where: Base-Base interactions energy: -640.725 where: short stacking energy: -266.806 Base-Backbone interact. energy: -1.675 local terms energy: -355.879348 where: bonds (distance) C4'-P energy: -77.385 bonds (distance) P-C4' energy: -79.521 flat angles C4'-P-C4' energy: -82.124 flat angles P-C4'-P energy: -49.206 tors. eta vs tors. theta energy: -67.643 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: 8, replica: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -634.854277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.854277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.854277 (E_RNA) where: Base-Base interactions energy: -338.968 where: short stacking energy: -192.307 Base-Backbone interact. energy: -2.086 local terms energy: -293.800124 where: bonds (distance) C4'-P energy: -70.890 bonds (distance) P-C4' energy: -76.093 flat angles C4'-P-C4' energy: -80.643 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: -22.172 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: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -615.958448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.958448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.958448 (E_RNA) where: Base-Base interactions energy: -351.907 where: short stacking energy: -177.779 Base-Backbone interact. energy: 0.208 local terms energy: -264.259905 where: bonds (distance) C4'-P energy: -57.076 bonds (distance) P-C4' energy: -84.028 flat angles C4'-P-C4' energy: -71.935 flat angles P-C4'-P energy: -39.834 tors. eta vs tors. theta energy: -11.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -510.078796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.078796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.078796 (E_RNA) where: Base-Base interactions energy: -263.474 where: short stacking energy: -151.830 Base-Backbone interact. energy: 3.796 local terms energy: -250.400320 where: bonds (distance) C4'-P energy: -70.357 bonds (distance) P-C4' energy: -76.413 flat angles C4'-P-C4' energy: -71.172 flat angles P-C4'-P energy: -34.522 tors. eta vs tors. theta energy: 2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1620.257326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.257326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.257326 (E_RNA) where: Base-Base interactions energy: -1112.747 where: short stacking energy: -474.069 Base-Backbone interact. energy: -0.799 local terms energy: -506.711703 where: bonds (distance) C4'-P energy: -96.323 bonds (distance) P-C4' energy: -88.731 flat angles C4'-P-C4' energy: -103.801 flat angles P-C4'-P energy: -67.812 tors. eta vs tors. theta energy: -150.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1511.592879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.592879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.592879 (E_RNA) where: Base-Base interactions energy: -1039.620 where: short stacking energy: -425.774 Base-Backbone interact. energy: -2.839 local terms energy: -469.133698 where: bonds (distance) C4'-P energy: -82.965 bonds (distance) P-C4' energy: -85.832 flat angles C4'-P-C4' energy: -107.110 flat angles P-C4'-P energy: -67.412 tors. eta vs tors. theta energy: -125.815 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: 459 Temperature: 1.000000 Total energy: -1545.509858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.509858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.509858 (E_RNA) where: Base-Base interactions energy: -1066.200 where: short stacking energy: -450.710 Base-Backbone interact. energy: -1.449 local terms energy: -477.860809 where: bonds (distance) C4'-P energy: -88.476 bonds (distance) P-C4' energy: -83.866 flat angles C4'-P-C4' energy: -102.979 flat angles P-C4'-P energy: -60.224 tors. eta vs tors. theta energy: -142.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1418.008214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.008214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.008214 (E_RNA) where: Base-Base interactions energy: -998.248 where: short stacking energy: -398.296 Base-Backbone interact. energy: -0.522 local terms energy: -419.238336 where: bonds (distance) C4'-P energy: -74.083 bonds (distance) P-C4' energy: -63.486 flat angles C4'-P-C4' energy: -95.350 flat angles P-C4'-P energy: -60.925 tors. eta vs tors. theta energy: -125.393 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: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1223.575968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.575968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.575968 (E_RNA) where: Base-Base interactions energy: -814.040 where: short stacking energy: -340.821 Base-Backbone interact. energy: -1.121 local terms energy: -408.414821 where: bonds (distance) C4'-P energy: -85.067 bonds (distance) P-C4' energy: -79.027 flat angles C4'-P-C4' energy: -87.456 flat angles P-C4'-P energy: -59.286 tors. eta vs tors. theta energy: -97.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1179.199068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.199068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.199068 (E_RNA) where: Base-Base interactions energy: -771.261 where: short stacking energy: -333.034 Base-Backbone interact. energy: -0.896 local terms energy: -407.042055 where: bonds (distance) C4'-P energy: -79.617 bonds (distance) P-C4' energy: -83.460 flat angles C4'-P-C4' energy: -91.945 flat angles P-C4'-P energy: -61.232 tors. eta vs tors. theta energy: -90.786 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: 3 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -966.778834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.778834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.778834 (E_RNA) where: Base-Base interactions energy: -597.643 where: short stacking energy: -280.659 Base-Backbone interact. energy: 0.756 local terms energy: -369.891486 where: bonds (distance) C4'-P energy: -71.541 bonds (distance) P-C4' energy: -90.055 flat angles C4'-P-C4' energy: -83.942 flat angles P-C4'-P energy: -63.010 tors. eta vs tors. theta energy: -61.344 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: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -621.850968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.850968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.850968 (E_RNA) where: Base-Base interactions energy: -305.583 where: short stacking energy: -178.893 Base-Backbone interact. energy: 1.124 local terms energy: -317.391716 where: bonds (distance) C4'-P energy: -82.642 bonds (distance) P-C4' energy: -78.984 flat angles C4'-P-C4' energy: -79.897 flat angles P-C4'-P energy: -57.411 tors. eta vs tors. theta energy: -18.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -548.052224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.052224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.052224 (E_RNA) where: Base-Base interactions energy: -287.934 where: short stacking energy: -153.957 Base-Backbone interact. energy: 2.106 local terms energy: -262.223719 where: bonds (distance) C4'-P energy: -74.018 bonds (distance) P-C4' energy: -83.014 flat angles C4'-P-C4' energy: -60.415 flat angles P-C4'-P energy: -40.049 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -530.286668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.286668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.286668 (E_RNA) where: Base-Base interactions energy: -264.584 where: short stacking energy: -147.915 Base-Backbone interact. energy: -1.802 local terms energy: -263.900585 where: bonds (distance) C4'-P energy: -67.323 bonds (distance) P-C4' energy: -74.740 flat angles C4'-P-C4' energy: -71.949 flat angles P-C4'-P energy: -44.437 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1618.111824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.111824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.111824 (E_RNA) where: Base-Base interactions energy: -1115.930 where: short stacking energy: -465.524 Base-Backbone interact. energy: -1.844 local terms energy: -500.337875 where: bonds (distance) C4'-P energy: -91.655 bonds (distance) P-C4' energy: -89.864 flat angles C4'-P-C4' energy: -103.331 flat angles P-C4'-P energy: -67.942 tors. eta vs tors. theta energy: -147.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1520.987810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.987810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.987810 (E_RNA) where: Base-Base interactions energy: -1041.486 where: short stacking energy: -434.951 Base-Backbone interact. energy: -0.493 local terms energy: -479.009278 where: bonds (distance) C4'-P energy: -92.917 bonds (distance) P-C4' energy: -88.833 flat angles C4'-P-C4' energy: -101.881 flat angles P-C4'-P energy: -68.068 tors. eta vs tors. theta energy: -127.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1549.106399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.106399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.106399 (E_RNA) where: Base-Base interactions energy: -1069.551 where: short stacking energy: -472.052 Base-Backbone interact. energy: 2.990 local terms energy: -482.545515 where: bonds (distance) C4'-P energy: -79.762 bonds (distance) P-C4' energy: -95.318 flat angles C4'-P-C4' energy: -96.488 flat angles P-C4'-P energy: -68.534 tors. eta vs tors. theta energy: -142.444 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: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1426.035551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.035551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.035551 (E_RNA) where: Base-Base interactions energy: -955.526 where: short stacking energy: -404.532 Base-Backbone interact. energy: -1.954 local terms energy: -468.555777 where: bonds (distance) C4'-P energy: -88.968 bonds (distance) P-C4' energy: -98.960 flat angles C4'-P-C4' energy: -99.783 flat angles P-C4'-P energy: -58.976 tors. eta vs tors. theta energy: -121.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1286.299013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.299013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.299013 (E_RNA) where: Base-Base interactions energy: -854.838 where: short stacking energy: -362.073 Base-Backbone interact. energy: -0.253 local terms energy: -431.207959 where: bonds (distance) C4'-P energy: -81.950 bonds (distance) P-C4' energy: -91.430 flat angles C4'-P-C4' energy: -102.570 flat angles P-C4'-P energy: -56.969 tors. eta vs tors. theta energy: -98.289 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: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1187.020040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.020040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.020040 (E_RNA) where: Base-Base interactions energy: -807.137 where: short stacking energy: -357.156 Base-Backbone interact. energy: -0.286 local terms energy: -379.597168 where: bonds (distance) C4'-P energy: -80.039 bonds (distance) P-C4' energy: -75.695 flat angles C4'-P-C4' energy: -85.222 flat angles P-C4'-P energy: -51.952 tors. eta vs tors. theta energy: -86.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -998.051538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.051538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.051538 (E_RNA) where: Base-Base interactions energy: -643.442 where: short stacking energy: -276.694 Base-Backbone interact. energy: 0.189 local terms energy: -354.798589 where: bonds (distance) C4'-P energy: -68.955 bonds (distance) P-C4' energy: -83.089 flat angles C4'-P-C4' energy: -81.884 flat angles P-C4'-P energy: -43.317 tors. eta vs tors. theta energy: -77.553 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: 10 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -576.309251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.309251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.309251 (E_RNA) where: Base-Base interactions energy: -286.884 where: short stacking energy: -160.380 Base-Backbone interact. energy: -2.235 local terms energy: -287.190485 where: bonds (distance) C4'-P energy: -77.075 bonds (distance) P-C4' energy: -84.722 flat angles C4'-P-C4' energy: -79.909 flat angles P-C4'-P energy: -41.554 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -533.581356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.581356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.581356 (E_RNA) where: Base-Base interactions energy: -263.848 where: short stacking energy: -147.930 Base-Backbone interact. energy: 1.431 local terms energy: -271.164757 where: bonds (distance) C4'-P energy: -64.651 bonds (distance) P-C4' energy: -83.117 flat angles C4'-P-C4' energy: -82.569 flat angles P-C4'-P energy: -29.406 tors. eta vs tors. theta energy: -11.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -555.753150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.753150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.753150 (E_RNA) where: Base-Base interactions energy: -299.772 where: short stacking energy: -186.654 Base-Backbone interact. energy: -0.513 local terms energy: -255.467725 where: bonds (distance) C4'-P energy: -73.442 bonds (distance) P-C4' energy: -66.039 flat angles C4'-P-C4' energy: -57.716 flat angles P-C4'-P energy: -35.398 tors. eta vs tors. theta energy: -22.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1623.737445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.737445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.737445 (E_RNA) where: Base-Base interactions energy: -1096.237 where: short stacking energy: -486.889 Base-Backbone interact. energy: -1.347 local terms energy: -526.153664 where: bonds (distance) C4'-P energy: -98.572 bonds (distance) P-C4' energy: -92.817 flat angles C4'-P-C4' energy: -105.456 flat angles P-C4'-P energy: -74.017 tors. eta vs tors. theta energy: -155.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1523.089174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.089174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.089174 (E_RNA) where: Base-Base interactions energy: -1065.725 where: short stacking energy: -429.052 Base-Backbone interact. energy: -1.837 local terms energy: -455.527155 where: bonds (distance) C4'-P energy: -85.391 bonds (distance) P-C4' energy: -81.302 flat angles C4'-P-C4' energy: -90.448 flat angles P-C4'-P energy: -68.956 tors. eta vs tors. theta energy: -129.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1550.036479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.036479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.036479 (E_RNA) where: Base-Base interactions energy: -1061.665 where: short stacking energy: -486.062 Base-Backbone interact. energy: -2.105 local terms energy: -486.266933 where: bonds (distance) C4'-P energy: -87.081 bonds (distance) P-C4' energy: -81.282 flat angles C4'-P-C4' energy: -100.754 flat angles P-C4'-P energy: -67.342 tors. eta vs tors. theta energy: -149.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1437.810533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.810533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.810533 (E_RNA) where: Base-Base interactions energy: -985.777 where: short stacking energy: -409.609 Base-Backbone interact. energy: -1.453 local terms energy: -450.580673 where: bonds (distance) C4'-P energy: -83.928 bonds (distance) P-C4' energy: -83.997 flat angles C4'-P-C4' energy: -88.473 flat angles P-C4'-P energy: -70.650 tors. eta vs tors. theta energy: -123.533 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: 5, replica: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1293.125485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.125485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.125485 (E_RNA) where: Base-Base interactions energy: -907.562 where: short stacking energy: -385.251 Base-Backbone interact. energy: -4.676 local terms energy: -380.887696 where: bonds (distance) C4'-P energy: -74.497 bonds (distance) P-C4' energy: -73.771 flat angles C4'-P-C4' energy: -82.573 flat angles P-C4'-P energy: -49.424 tors. eta vs tors. theta energy: -100.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1218.216850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.216850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.216850 (E_RNA) where: Base-Base interactions energy: -797.637 where: short stacking energy: -346.743 Base-Backbone interact. energy: -1.706 local terms energy: -418.873703 where: bonds (distance) C4'-P energy: -88.937 bonds (distance) P-C4' energy: -85.153 flat angles C4'-P-C4' energy: -91.323 flat angles P-C4'-P energy: -62.021 tors. eta vs tors. theta energy: -91.441 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: 3 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -946.036429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.036429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.036429 (E_RNA) where: Base-Base interactions energy: -586.893 where: short stacking energy: -262.812 Base-Backbone interact. energy: -2.832 local terms energy: -356.311994 where: bonds (distance) C4'-P energy: -76.232 bonds (distance) P-C4' energy: -74.028 flat angles C4'-P-C4' energy: -83.408 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -65.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -591.952774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.952774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.952774 (E_RNA) where: Base-Base interactions energy: -297.132 where: short stacking energy: -153.451 Base-Backbone interact. energy: 0.527 local terms energy: -295.348257 where: bonds (distance) C4'-P energy: -76.335 bonds (distance) P-C4' energy: -79.928 flat angles C4'-P-C4' energy: -79.086 flat angles P-C4'-P energy: -49.881 tors. eta vs tors. theta energy: -10.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -538.919816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.919816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.919816 (E_RNA) where: Base-Base interactions energy: -272.040 where: short stacking energy: -146.851 Base-Backbone interact. energy: -1.992 local terms energy: -264.887055 where: bonds (distance) C4'-P energy: -80.477 bonds (distance) P-C4' energy: -78.394 flat angles C4'-P-C4' energy: -62.391 flat angles P-C4'-P energy: -37.929 tors. eta vs tors. theta energy: -5.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -541.682380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.682380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.682380 (E_RNA) where: Base-Base interactions energy: -279.558 where: short stacking energy: -150.440 Base-Backbone interact. energy: 0.924 local terms energy: -263.047991 where: bonds (distance) C4'-P energy: -70.725 bonds (distance) P-C4' energy: -74.852 flat angles C4'-P-C4' energy: -76.941 flat angles P-C4'-P energy: -22.792 tors. eta vs tors. theta energy: -17.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1621.274067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.274067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.274067 (E_RNA) where: Base-Base interactions energy: -1107.302 where: short stacking energy: -503.735 Base-Backbone interact. energy: -1.124 local terms energy: -512.848137 where: bonds (distance) C4'-P energy: -95.641 bonds (distance) P-C4' energy: -87.277 flat angles C4'-P-C4' energy: -99.085 flat angles P-C4'-P energy: -76.786 tors. eta vs tors. theta energy: -154.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1521.432097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.432097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.432097 (E_RNA) where: Base-Base interactions energy: -1041.175 where: short stacking energy: -418.168 Base-Backbone interact. energy: -3.196 local terms energy: -477.061189 where: bonds (distance) C4'-P energy: -91.768 bonds (distance) P-C4' energy: -88.607 flat angles C4'-P-C4' energy: -106.772 flat angles P-C4'-P energy: -60.618 tors. eta vs tors. theta energy: -129.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1547.101673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.101673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.101673 (E_RNA) where: Base-Base interactions energy: -1052.792 where: short stacking energy: -456.413 Base-Backbone interact. energy: -3.259 local terms energy: -491.050542 where: bonds (distance) C4'-P energy: -91.140 bonds (distance) P-C4' energy: -94.252 flat angles C4'-P-C4' energy: -97.654 flat angles P-C4'-P energy: -68.427 tors. eta vs tors. theta energy: -139.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1435.665461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.665461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.665461 (E_RNA) where: Base-Base interactions energy: -978.085 where: short stacking energy: -420.891 Base-Backbone interact. energy: -1.943 local terms energy: -455.637925 where: bonds (distance) C4'-P energy: -91.169 bonds (distance) P-C4' energy: -91.271 flat angles C4'-P-C4' energy: -95.178 flat angles P-C4'-P energy: -59.853 tors. eta vs tors. theta energy: -118.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1270.816059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.816059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.816059 (E_RNA) where: Base-Base interactions energy: -857.837 where: short stacking energy: -361.103 Base-Backbone interact. energy: -3.068 local terms energy: -409.912015 where: bonds (distance) C4'-P energy: -72.789 bonds (distance) P-C4' energy: -79.266 flat angles C4'-P-C4' energy: -96.994 flat angles P-C4'-P energy: -66.324 tors. eta vs tors. theta energy: -94.539 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: 6, replica: 6 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1220.734467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.734467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.734467 (E_RNA) where: Base-Base interactions energy: -807.212 where: short stacking energy: -366.477 Base-Backbone interact. energy: 1.564 local terms energy: -415.086839 where: bonds (distance) C4'-P energy: -62.833 bonds (distance) P-C4' energy: -85.093 flat angles C4'-P-C4' energy: -99.605 flat angles P-C4'-P energy: -62.395 tors. eta vs tors. theta energy: -105.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1010.166005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.166005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.166005 (E_RNA) where: Base-Base interactions energy: -643.009 where: short stacking energy: -281.747 Base-Backbone interact. energy: 4.314 local terms energy: -371.471248 where: bonds (distance) C4'-P energy: -74.365 bonds (distance) P-C4' energy: -75.572 flat angles C4'-P-C4' energy: -84.534 flat angles P-C4'-P energy: -63.663 tors. eta vs tors. theta energy: -73.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -615.323545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.323545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.323545 (E_RNA) where: Base-Base interactions energy: -319.754 where: short stacking energy: -191.446 Base-Backbone interact. energy: 0.404 local terms energy: -295.972830 where: bonds (distance) C4'-P energy: -80.132 bonds (distance) P-C4' energy: -74.030 flat angles C4'-P-C4' energy: -72.565 flat angles P-C4'-P energy: -44.594 tors. eta vs tors. theta energy: -24.651 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: 7 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -579.514449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.514449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.514449 (E_RNA) where: Base-Base interactions energy: -290.883 where: short stacking energy: -146.588 Base-Backbone interact. energy: -0.681 local terms energy: -287.950250 where: bonds (distance) C4'-P energy: -82.208 bonds (distance) P-C4' energy: -86.301 flat angles C4'-P-C4' energy: -61.163 flat angles P-C4'-P energy: -54.669 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -546.278503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.278503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.278503 (E_RNA) where: Base-Base interactions energy: -270.295 where: short stacking energy: -165.816 Base-Backbone interact. energy: -2.201 local terms energy: -273.781997 where: bonds (distance) C4'-P energy: -78.379 bonds (distance) P-C4' energy: -77.197 flat angles C4'-P-C4' energy: -86.952 flat angles P-C4'-P energy: -34.305 tors. eta vs tors. theta energy: 3.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1641.483600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.483600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.483600 (E_RNA) where: Base-Base interactions energy: -1092.331 where: short stacking energy: -489.484 Base-Backbone interact. energy: 0.796 local terms energy: -549.948325 where: bonds (distance) C4'-P energy: -105.033 bonds (distance) P-C4' energy: -93.399 flat angles C4'-P-C4' energy: -110.033 flat angles P-C4'-P energy: -76.568 tors. eta vs tors. theta energy: -164.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1524.437493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.437493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.437493 (E_RNA) where: Base-Base interactions energy: -1049.266 where: short stacking energy: -436.455 Base-Backbone interact. energy: 0.166 local terms energy: -475.338374 where: bonds (distance) C4'-P energy: -92.652 bonds (distance) P-C4' energy: -88.644 flat angles C4'-P-C4' energy: -96.705 flat angles P-C4'-P energy: -67.063 tors. eta vs tors. theta energy: -130.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1571.597296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.597296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.597296 (E_RNA) where: Base-Base interactions energy: -1077.550 where: short stacking energy: -464.647 Base-Backbone interact. energy: 0.251 local terms energy: -494.297425 where: bonds (distance) C4'-P energy: -88.477 bonds (distance) P-C4' energy: -85.360 flat angles C4'-P-C4' energy: -105.935 flat angles P-C4'-P energy: -69.504 tors. eta vs tors. theta energy: -145.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1411.556294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.556294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.556294 (E_RNA) where: Base-Base interactions energy: -957.781 where: short stacking energy: -408.722 Base-Backbone interact. energy: 1.743 local terms energy: -455.518395 where: bonds (distance) C4'-P energy: -77.691 bonds (distance) P-C4' energy: -88.277 flat angles C4'-P-C4' energy: -104.110 flat angles P-C4'-P energy: -67.732 tors. eta vs tors. theta energy: -117.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1262.723695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.723695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.723695 (E_RNA) where: Base-Base interactions energy: -852.077 where: short stacking energy: -347.061 Base-Backbone interact. energy: 0.751 local terms energy: -411.398097 where: bonds (distance) C4'-P energy: -75.411 bonds (distance) P-C4' energy: -82.606 flat angles C4'-P-C4' energy: -94.083 flat angles P-C4'-P energy: -60.994 tors. eta vs tors. theta energy: -98.305 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: 6 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1200.979285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.979285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.979285 (E_RNA) where: Base-Base interactions energy: -773.630 where: short stacking energy: -346.549 Base-Backbone interact. energy: 1.643 local terms energy: -428.991680 where: bonds (distance) C4'-P energy: -91.633 bonds (distance) P-C4' energy: -89.019 flat angles C4'-P-C4' energy: -92.675 flat angles P-C4'-P energy: -55.155 tors. eta vs tors. theta energy: -100.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1035.721387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.721387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.721387 (E_RNA) where: Base-Base interactions energy: -670.002 where: short stacking energy: -312.511 Base-Backbone interact. energy: -1.628 local terms energy: -364.091436 where: bonds (distance) C4'-P energy: -71.271 bonds (distance) P-C4' energy: -74.717 flat angles C4'-P-C4' energy: -87.797 flat angles P-C4'-P energy: -55.331 tors. eta vs tors. theta energy: -74.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -650.454734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.454734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.454734 (E_RNA) where: Base-Base interactions energy: -366.745 where: short stacking energy: -170.401 Base-Backbone interact. energy: -1.774 local terms energy: -281.935617 where: bonds (distance) C4'-P energy: -57.556 bonds (distance) P-C4' energy: -76.697 flat angles C4'-P-C4' energy: -77.512 flat angles P-C4'-P energy: -52.889 tors. eta vs tors. theta energy: -17.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -570.583421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.583421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.583421 (E_RNA) where: Base-Base interactions energy: -284.649 where: short stacking energy: -146.309 Base-Backbone interact. energy: -0.634 local terms energy: -285.300368 where: bonds (distance) C4'-P energy: -83.701 bonds (distance) P-C4' energy: -82.587 flat angles C4'-P-C4' energy: -64.834 flat angles P-C4'-P energy: -48.634 tors. eta vs tors. theta energy: -5.544 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: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -525.572666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.572666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.572666 (E_RNA) where: Base-Base interactions energy: -283.443 where: short stacking energy: -151.938 Base-Backbone interact. energy: -0.319 local terms energy: -241.810317 where: bonds (distance) C4'-P energy: -79.032 bonds (distance) P-C4' energy: -76.840 flat angles C4'-P-C4' energy: -61.909 flat angles P-C4'-P energy: -17.205 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1607.917419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.917419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.917419 (E_RNA) where: Base-Base interactions energy: -1107.128 where: short stacking energy: -494.596 Base-Backbone interact. energy: 1.327 local terms energy: -502.115948 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -96.445 flat angles C4'-P-C4' energy: -106.315 flat angles P-C4'-P energy: -63.920 tors. eta vs tors. theta energy: -154.619 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: 2, replica: 8 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1511.670875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.670875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.670875 (E_RNA) where: Base-Base interactions energy: -1041.211 where: short stacking energy: -435.829 Base-Backbone interact. energy: 2.074 local terms energy: -472.533977 where: bonds (distance) C4'-P energy: -90.507 bonds (distance) P-C4' energy: -98.138 flat angles C4'-P-C4' energy: -99.942 flat angles P-C4'-P energy: -64.376 tors. eta vs tors. theta energy: -119.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1557.485961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.485961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.485961 (E_RNA) where: Base-Base interactions energy: -1063.951 where: short stacking energy: -469.680 Base-Backbone interact. energy: -0.823 local terms energy: -492.711857 where: bonds (distance) C4'-P energy: -87.533 bonds (distance) P-C4' energy: -84.588 flat angles C4'-P-C4' energy: -93.862 flat angles P-C4'-P energy: -74.863 tors. eta vs tors. theta energy: -151.865 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: 4, replica: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1424.337013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.337013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.337013 (E_RNA) where: Base-Base interactions energy: -963.779 where: short stacking energy: -424.129 Base-Backbone interact. energy: -1.149 local terms energy: -459.409182 where: bonds (distance) C4'-P energy: -84.830 bonds (distance) P-C4' energy: -76.219 flat angles C4'-P-C4' energy: -99.600 flat angles P-C4'-P energy: -67.775 tors. eta vs tors. theta energy: -130.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1321.741839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.741839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.741839 (E_RNA) where: Base-Base interactions energy: -897.583 where: short stacking energy: -356.250 Base-Backbone interact. energy: -2.658 local terms energy: -421.501388 where: bonds (distance) C4'-P energy: -79.790 bonds (distance) P-C4' energy: -82.588 flat angles C4'-P-C4' energy: -100.904 flat angles P-C4'-P energy: -57.173 tors. eta vs tors. theta energy: -101.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1201.772943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.772943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.772943 (E_RNA) where: Base-Base interactions energy: -797.755 where: short stacking energy: -346.338 Base-Backbone interact. energy: -0.113 local terms energy: -403.904394 where: bonds (distance) C4'-P energy: -73.347 bonds (distance) P-C4' energy: -92.513 flat angles C4'-P-C4' energy: -80.558 flat angles P-C4'-P energy: -61.594 tors. eta vs tors. theta energy: -95.892 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: 7, replica: 3 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1078.515164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.515164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.515164 (E_RNA) where: Base-Base interactions energy: -697.503 where: short stacking energy: -307.036 Base-Backbone interact. energy: 0.108 local terms energy: -381.120506 where: bonds (distance) C4'-P energy: -80.445 bonds (distance) P-C4' energy: -92.142 flat angles C4'-P-C4' energy: -73.205 flat angles P-C4'-P energy: -54.667 tors. eta vs tors. theta energy: -80.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -628.108914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.108914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.108914 (E_RNA) where: Base-Base interactions energy: -332.180 where: short stacking energy: -172.381 Base-Backbone interact. energy: -3.132 local terms energy: -292.797355 where: bonds (distance) C4'-P energy: -69.529 bonds (distance) P-C4' energy: -83.801 flat angles C4'-P-C4' energy: -74.092 flat angles P-C4'-P energy: -49.402 tors. eta vs tors. theta energy: -15.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -575.369828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.369828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.369828 (E_RNA) where: Base-Base interactions energy: -280.260 where: short stacking energy: -148.921 Base-Backbone interact. energy: 0.793 local terms energy: -295.902768 where: bonds (distance) C4'-P energy: -86.708 bonds (distance) P-C4' energy: -82.430 flat angles C4'-P-C4' energy: -71.673 flat angles P-C4'-P energy: -39.036 tors. eta vs tors. theta energy: -16.056 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: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -524.723709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.723709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.723709 (E_RNA) where: Base-Base interactions energy: -265.494 where: short stacking energy: -147.003 Base-Backbone interact. energy: -1.449 local terms energy: -257.781596 where: bonds (distance) C4'-P energy: -75.078 bonds (distance) P-C4' energy: -70.968 flat angles C4'-P-C4' energy: -81.006 flat angles P-C4'-P energy: -28.419 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1664.334433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.334433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.334433 (E_RNA) where: Base-Base interactions energy: -1125.325 where: short stacking energy: -490.686 Base-Backbone interact. energy: -1.093 local terms energy: -537.916706 where: bonds (distance) C4'-P energy: -91.894 bonds (distance) P-C4' energy: -104.478 flat angles C4'-P-C4' energy: -108.385 flat angles P-C4'-P energy: -80.867 tors. eta vs tors. theta energy: -152.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1570.798236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.798236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.798236 (E_RNA) where: Base-Base interactions energy: -1085.469 where: short stacking energy: -469.589 Base-Backbone interact. energy: -0.749 local terms energy: -484.579730 where: bonds (distance) C4'-P energy: -81.416 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -104.073 flat angles P-C4'-P energy: -65.877 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: 3, replica: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1475.163150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.163150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.163150 (E_RNA) where: Base-Base interactions energy: -996.912 where: short stacking energy: -431.653 Base-Backbone interact. energy: -2.846 local terms energy: -475.405394 where: bonds (distance) C4'-P energy: -83.246 bonds (distance) P-C4' energy: -92.062 flat angles C4'-P-C4' energy: -106.477 flat angles P-C4'-P energy: -64.543 tors. eta vs tors. theta energy: -129.077 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: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1386.511502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.511502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.511502 (E_RNA) where: Base-Base interactions energy: -957.750 where: short stacking energy: -404.685 Base-Backbone interact. energy: -2.631 local terms energy: -426.130381 where: bonds (distance) C4'-P energy: -78.202 bonds (distance) P-C4' energy: -79.699 flat angles C4'-P-C4' energy: -85.508 flat angles P-C4'-P energy: -63.341 tors. eta vs tors. theta energy: -119.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1304.037564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.037564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.037564 (E_RNA) where: Base-Base interactions energy: -908.499 where: short stacking energy: -370.881 Base-Backbone interact. energy: 1.673 local terms energy: -397.210906 where: bonds (distance) C4'-P energy: -69.800 bonds (distance) P-C4' energy: -83.668 flat angles C4'-P-C4' energy: -81.600 flat angles P-C4'-P energy: -58.476 tors. eta vs tors. theta energy: -103.666 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: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1175.584600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.584600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.584600 (E_RNA) where: Base-Base interactions energy: -769.033 where: short stacking energy: -332.270 Base-Backbone interact. energy: -0.353 local terms energy: -406.198654 where: bonds (distance) C4'-P energy: -80.706 bonds (distance) P-C4' energy: -84.860 flat angles C4'-P-C4' energy: -85.735 flat angles P-C4'-P energy: -60.604 tors. eta vs tors. theta energy: -94.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -972.585791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.585791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.585791 (E_RNA) where: Base-Base interactions energy: -606.276 where: short stacking energy: -272.151 Base-Backbone interact. energy: -2.704 local terms energy: -363.605733 where: bonds (distance) C4'-P energy: -76.331 bonds (distance) P-C4' energy: -77.452 flat angles C4'-P-C4' energy: -81.233 flat angles P-C4'-P energy: -60.785 tors. eta vs tors. theta energy: -67.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -635.740806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.740806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.740806 (E_RNA) where: Base-Base interactions energy: -330.752 where: short stacking energy: -183.627 Base-Backbone interact. energy: 2.391 local terms energy: -307.379170 where: bonds (distance) C4'-P energy: -81.690 bonds (distance) P-C4' energy: -95.758 flat angles C4'-P-C4' energy: -81.640 flat angles P-C4'-P energy: -46.325 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -615.210712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.210712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.210712 (E_RNA) where: Base-Base interactions energy: -353.665 where: short stacking energy: -170.137 Base-Backbone interact. energy: -3.760 local terms energy: -257.785493 where: bonds (distance) C4'-P energy: -65.679 bonds (distance) P-C4' energy: -75.999 flat angles C4'-P-C4' energy: -69.714 flat angles P-C4'-P energy: -37.869 tors. eta vs tors. theta energy: -8.524 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: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -531.490642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.490642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.490642 (E_RNA) where: Base-Base interactions energy: -287.428 where: short stacking energy: -155.735 Base-Backbone interact. energy: 4.143 local terms energy: -248.205243 where: bonds (distance) C4'-P energy: -66.458 bonds (distance) P-C4' energy: -75.551 flat angles C4'-P-C4' energy: -72.151 flat angles P-C4'-P energy: -38.094 tors. eta vs tors. theta energy: 4.049 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: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1630.818204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.818204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.818204 (E_RNA) where: Base-Base interactions energy: -1100.365 where: short stacking energy: -480.083 Base-Backbone interact. energy: -1.506 local terms energy: -528.947064 where: bonds (distance) C4'-P energy: -98.704 bonds (distance) P-C4' energy: -84.364 flat angles C4'-P-C4' energy: -112.920 flat angles P-C4'-P energy: -79.184 tors. eta vs tors. theta energy: -153.775 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: 466 Temperature: 0.950000 Total energy: -1588.027759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.027759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.027759 (E_RNA) where: Base-Base interactions energy: -1100.965 where: short stacking energy: -474.916 Base-Backbone interact. energy: -1.418 local terms energy: -485.645491 where: bonds (distance) C4'-P energy: -94.712 bonds (distance) P-C4' energy: -78.980 flat angles C4'-P-C4' energy: -103.943 flat angles P-C4'-P energy: -68.396 tors. eta vs tors. theta energy: -139.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1456.142884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.142884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.142884 (E_RNA) where: Base-Base interactions energy: -986.954 where: short stacking energy: -399.845 Base-Backbone interact. energy: -1.088 local terms energy: -468.101629 where: bonds (distance) C4'-P energy: -89.694 bonds (distance) P-C4' energy: -85.120 flat angles C4'-P-C4' energy: -107.778 flat angles P-C4'-P energy: -64.557 tors. eta vs tors. theta energy: -120.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1374.150581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.150581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.150581 (E_RNA) where: Base-Base interactions energy: -933.480 where: short stacking energy: -392.522 Base-Backbone interact. energy: -1.490 local terms energy: -439.180665 where: bonds (distance) C4'-P energy: -94.615 bonds (distance) P-C4' energy: -81.225 flat angles C4'-P-C4' energy: -97.987 flat angles P-C4'-P energy: -46.046 tors. eta vs tors. theta energy: -119.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1330.872660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.872660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.872660 (E_RNA) where: Base-Base interactions energy: -890.432 where: short stacking energy: -359.476 Base-Backbone interact. energy: -0.928 local terms energy: -439.513057 where: bonds (distance) C4'-P energy: -87.719 bonds (distance) P-C4' energy: -93.548 flat angles C4'-P-C4' energy: -100.405 flat angles P-C4'-P energy: -59.357 tors. eta vs tors. theta energy: -98.485 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: 466 Temperature: 1.150000 Total energy: -1177.949890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.949890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.949890 (E_RNA) where: Base-Base interactions energy: -770.148 where: short stacking energy: -331.746 Base-Backbone interact. energy: -2.547 local terms energy: -405.255173 where: bonds (distance) C4'-P energy: -98.446 bonds (distance) P-C4' energy: -70.346 flat angles C4'-P-C4' energy: -85.753 flat angles P-C4'-P energy: -61.086 tors. eta vs tors. theta energy: -89.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -972.638179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.638179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.638179 (E_RNA) where: Base-Base interactions energy: -644.296 where: short stacking energy: -293.042 Base-Backbone interact. energy: -0.237 local terms energy: -328.105477 where: bonds (distance) C4'-P energy: -59.516 bonds (distance) P-C4' energy: -78.247 flat angles C4'-P-C4' energy: -85.539 flat angles P-C4'-P energy: -49.090 tors. eta vs tors. theta energy: -55.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -603.951589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.951589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.951589 (E_RNA) where: Base-Base interactions energy: -307.508 where: short stacking energy: -184.592 Base-Backbone interact. energy: 0.651 local terms energy: -297.094696 where: bonds (distance) C4'-P energy: -84.089 bonds (distance) P-C4' energy: -75.959 flat angles C4'-P-C4' energy: -74.555 flat angles P-C4'-P energy: -47.661 tors. eta vs tors. theta energy: -14.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -639.032664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.032664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.032664 (E_RNA) where: Base-Base interactions energy: -376.312 where: short stacking energy: -181.049 Base-Backbone interact. energy: 4.932 local terms energy: -267.653352 where: bonds (distance) C4'-P energy: -59.534 bonds (distance) P-C4' energy: -68.656 flat angles C4'-P-C4' energy: -74.519 flat angles P-C4'-P energy: -49.489 tors. eta vs tors. theta energy: -15.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -528.095860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.095860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.095860 (E_RNA) where: Base-Base interactions energy: -284.544 where: short stacking energy: -151.833 Base-Backbone interact. energy: 2.287 local terms energy: -245.839406 where: bonds (distance) C4'-P energy: -69.688 bonds (distance) P-C4' energy: -78.015 flat angles C4'-P-C4' energy: -65.974 flat angles P-C4'-P energy: -27.245 tors. eta vs tors. theta energy: -4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1674.826890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.826890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.826890 (E_RNA) where: Base-Base interactions energy: -1159.960 where: short stacking energy: -512.248 Base-Backbone interact. energy: -0.628 local terms energy: -514.239510 where: bonds (distance) C4'-P energy: -90.870 bonds (distance) P-C4' energy: -90.490 flat angles C4'-P-C4' energy: -100.103 flat angles P-C4'-P energy: -78.667 tors. eta vs tors. theta energy: -154.110 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: 1 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1608.358339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.358339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.358339 (E_RNA) where: Base-Base interactions energy: -1115.220 where: short stacking energy: -466.302 Base-Backbone interact. energy: -0.543 local terms energy: -492.594749 where: bonds (distance) C4'-P energy: -82.425 bonds (distance) P-C4' energy: -90.054 flat angles C4'-P-C4' energy: -107.020 flat angles P-C4'-P energy: -66.035 tors. eta vs tors. theta energy: -147.061 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: 8 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1447.966698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.966698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.966698 (E_RNA) where: Base-Base interactions energy: -994.785 where: short stacking energy: -395.560 Base-Backbone interact. energy: -2.566 local terms energy: -450.615257 where: bonds (distance) C4'-P energy: -73.676 bonds (distance) P-C4' energy: -97.371 flat angles C4'-P-C4' energy: -102.983 flat angles P-C4'-P energy: -63.933 tors. eta vs tors. theta energy: -112.653 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: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1390.070077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.070077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.070077 (E_RNA) where: Base-Base interactions energy: -943.988 where: short stacking energy: -418.062 Base-Backbone interact. energy: -2.971 local terms energy: -443.110764 where: bonds (distance) C4'-P energy: -76.915 bonds (distance) P-C4' energy: -85.099 flat angles C4'-P-C4' energy: -96.203 flat angles P-C4'-P energy: -71.698 tors. eta vs tors. theta energy: -113.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1363.935562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.935562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.935562 (E_RNA) where: Base-Base interactions energy: -942.637 where: short stacking energy: -403.082 Base-Backbone interact. energy: -3.972 local terms energy: -417.326489 where: bonds (distance) C4'-P energy: -79.626 bonds (distance) P-C4' energy: -77.765 flat angles C4'-P-C4' energy: -89.434 flat angles P-C4'-P energy: -56.093 tors. eta vs tors. theta energy: -114.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1162.730143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.730143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.730143 (E_RNA) where: Base-Base interactions energy: -756.755 where: short stacking energy: -335.007 Base-Backbone interact. energy: -2.074 local terms energy: -403.901014 where: bonds (distance) C4'-P energy: -83.554 bonds (distance) P-C4' energy: -83.639 flat angles C4'-P-C4' energy: -88.315 flat angles P-C4'-P energy: -57.549 tors. eta vs tors. theta energy: -90.844 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: 467 Temperature: 1.200000 Total energy: -1027.663999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.663999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.663999 (E_RNA) where: Base-Base interactions energy: -670.876 where: short stacking energy: -271.856 Base-Backbone interact. energy: -1.698 local terms energy: -355.090085 where: bonds (distance) C4'-P energy: -70.029 bonds (distance) P-C4' energy: -74.333 flat angles C4'-P-C4' energy: -90.103 flat angles P-C4'-P energy: -54.641 tors. eta vs tors. theta energy: -65.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -732.842897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.842897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.842897 (E_RNA) where: Base-Base interactions energy: -433.477 where: short stacking energy: -207.739 Base-Backbone interact. energy: -1.515 local terms energy: -297.850701 where: bonds (distance) C4'-P energy: -72.328 bonds (distance) P-C4' energy: -63.855 flat angles C4'-P-C4' energy: -81.121 flat angles P-C4'-P energy: -48.944 tors. eta vs tors. theta energy: -31.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -542.632486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.632486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.632486 (E_RNA) where: Base-Base interactions energy: -260.228 where: short stacking energy: -158.996 Base-Backbone interact. energy: -1.808 local terms energy: -280.596010 where: bonds (distance) C4'-P energy: -77.226 bonds (distance) P-C4' energy: -86.455 flat angles C4'-P-C4' energy: -72.394 flat angles P-C4'-P energy: -30.676 tors. eta vs tors. theta energy: -13.845 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: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -538.272897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.272897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.272897 (E_RNA) where: Base-Base interactions energy: -274.678 where: short stacking energy: -134.107 Base-Backbone interact. energy: -2.490 local terms energy: -261.104228 where: bonds (distance) C4'-P energy: -68.509 bonds (distance) P-C4' energy: -75.263 flat angles C4'-P-C4' energy: -79.198 flat angles P-C4'-P energy: -36.946 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1641.033500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.033500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.033500 (E_RNA) where: Base-Base interactions energy: -1125.453 where: short stacking energy: -476.284 Base-Backbone interact. energy: -2.043 local terms energy: -513.537468 where: bonds (distance) C4'-P energy: -87.518 bonds (distance) P-C4' energy: -97.035 flat angles C4'-P-C4' energy: -107.730 flat angles P-C4'-P energy: -68.947 tors. eta vs tors. theta energy: -152.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1607.486708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.486708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.486708 (E_RNA) where: Base-Base interactions energy: -1115.272 where: short stacking energy: -463.539 Base-Backbone interact. energy: -0.878 local terms energy: -491.336817 where: bonds (distance) C4'-P energy: -84.258 bonds (distance) P-C4' energy: -89.092 flat angles C4'-P-C4' energy: -103.349 flat angles P-C4'-P energy: -65.104 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: 3, replica: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1462.592321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.592321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.592321 (E_RNA) where: Base-Base interactions energy: -981.931 where: short stacking energy: -404.440 Base-Backbone interact. energy: 3.047 local terms energy: -483.707738 where: bonds (distance) C4'-P energy: -92.402 bonds (distance) P-C4' energy: -98.931 flat angles C4'-P-C4' energy: -95.665 flat angles P-C4'-P energy: -69.842 tors. eta vs tors. theta energy: -126.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1347.681395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.681395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.681395 (E_RNA) where: Base-Base interactions energy: -914.349 where: short stacking energy: -380.017 Base-Backbone interact. energy: -2.330 local terms energy: -431.002692 where: bonds (distance) C4'-P energy: -82.994 bonds (distance) P-C4' energy: -82.902 flat angles C4'-P-C4' energy: -96.837 flat angles P-C4'-P energy: -57.107 tors. eta vs tors. theta energy: -111.162 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: 4 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1351.935186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.935186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.935186 (E_RNA) where: Base-Base interactions energy: -926.118 where: short stacking energy: -392.667 Base-Backbone interact. energy: 3.244 local terms energy: -429.061005 where: bonds (distance) C4'-P energy: -82.607 bonds (distance) P-C4' energy: -87.125 flat angles C4'-P-C4' energy: -95.751 flat angles P-C4'-P energy: -51.392 tors. eta vs tors. theta energy: -112.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1140.848024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.848024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.848024 (E_RNA) where: Base-Base interactions energy: -738.783 where: short stacking energy: -345.406 Base-Backbone interact. energy: -1.247 local terms energy: -400.817299 where: bonds (distance) C4'-P energy: -77.038 bonds (distance) P-C4' energy: -81.162 flat angles C4'-P-C4' energy: -87.972 flat angles P-C4'-P energy: -58.890 tors. eta vs tors. theta energy: -95.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1016.558290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.558290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.558290 (E_RNA) where: Base-Base interactions energy: -667.026 where: short stacking energy: -291.165 Base-Backbone interact. energy: -1.901 local terms energy: -347.631440 where: bonds (distance) C4'-P energy: -58.879 bonds (distance) P-C4' energy: -70.891 flat angles C4'-P-C4' energy: -83.484 flat angles P-C4'-P energy: -60.695 tors. eta vs tors. theta energy: -73.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -649.927054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.927054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.927054 (E_RNA) where: Base-Base interactions energy: -357.501 where: short stacking energy: -172.029 Base-Backbone interact. energy: -2.851 local terms energy: -289.575692 where: bonds (distance) C4'-P energy: -84.780 bonds (distance) P-C4' energy: -85.308 flat angles C4'-P-C4' energy: -72.719 flat angles P-C4'-P energy: -30.971 tors. eta vs tors. theta energy: -15.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -559.002819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.002819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.002819 (E_RNA) where: Base-Base interactions energy: -258.368 where: short stacking energy: -135.419 Base-Backbone interact. energy: 0.646 local terms energy: -301.280628 where: bonds (distance) C4'-P energy: -74.591 bonds (distance) P-C4' energy: -93.113 flat angles C4'-P-C4' energy: -72.942 flat angles P-C4'-P energy: -47.669 tors. eta vs tors. theta energy: -12.965 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: 10 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -551.148695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.148695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.148695 (E_RNA) where: Base-Base interactions energy: -279.966 where: short stacking energy: -153.123 Base-Backbone interact. energy: -0.407 local terms energy: -270.775907 where: bonds (distance) C4'-P energy: -72.040 bonds (distance) P-C4' energy: -65.533 flat angles C4'-P-C4' energy: -66.177 flat angles P-C4'-P energy: -60.634 tors. eta vs tors. theta energy: -6.392 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: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1647.615885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.615885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.615885 (E_RNA) where: Base-Base interactions energy: -1138.251 where: short stacking energy: -511.817 Base-Backbone interact. energy: -1.987 local terms energy: -507.378525 where: bonds (distance) C4'-P energy: -87.120 bonds (distance) P-C4' energy: -88.364 flat angles C4'-P-C4' energy: -106.359 flat angles P-C4'-P energy: -68.881 tors. eta vs tors. theta energy: -156.654 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: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1584.324099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.324099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.324099 (E_RNA) where: Base-Base interactions energy: -1061.352 where: short stacking energy: -436.901 Base-Backbone interact. energy: 0.129 local terms energy: -523.100722 where: bonds (distance) C4'-P energy: -93.684 bonds (distance) P-C4' energy: -100.898 flat angles C4'-P-C4' energy: -106.513 flat angles P-C4'-P energy: -74.101 tors. eta vs tors. theta energy: -147.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1440.755817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.755817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.755817 (E_RNA) where: Base-Base interactions energy: -975.554 where: short stacking energy: -429.864 Base-Backbone interact. energy: -1.758 local terms energy: -463.443913 where: bonds (distance) C4'-P energy: -89.101 bonds (distance) P-C4' energy: -94.292 flat angles C4'-P-C4' energy: -92.946 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -123.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1330.426368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.426368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.426368 (E_RNA) where: Base-Base interactions energy: -937.191 where: short stacking energy: -398.536 Base-Backbone interact. energy: -3.441 local terms energy: -389.793832 where: bonds (distance) C4'-P energy: -62.629 bonds (distance) P-C4' energy: -81.170 flat angles C4'-P-C4' energy: -86.443 flat angles P-C4'-P energy: -61.706 tors. eta vs tors. theta energy: -97.846 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: 4 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1308.476487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.476487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.476487 (E_RNA) where: Base-Base interactions energy: -888.454 where: short stacking energy: -351.592 Base-Backbone interact. energy: -5.000 local terms energy: -415.021943 where: bonds (distance) C4'-P energy: -64.983 bonds (distance) P-C4' energy: -83.844 flat angles C4'-P-C4' energy: -93.150 flat angles P-C4'-P energy: -67.869 tors. eta vs tors. theta energy: -105.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1136.399433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.399433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.399433 (E_RNA) where: Base-Base interactions energy: -765.057 where: short stacking energy: -338.152 Base-Backbone interact. energy: 0.276 local terms energy: -371.618779 where: bonds (distance) C4'-P energy: -73.687 bonds (distance) P-C4' energy: -68.129 flat angles C4'-P-C4' energy: -84.926 flat angles P-C4'-P energy: -59.606 tors. eta vs tors. theta energy: -85.271 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: 3 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -952.135541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.135541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.135541 (E_RNA) where: Base-Base interactions energy: -578.535 where: short stacking energy: -257.111 Base-Backbone interact. energy: 0.600 local terms energy: -374.200014 where: bonds (distance) C4'-P energy: -80.002 bonds (distance) P-C4' energy: -85.633 flat angles C4'-P-C4' energy: -91.842 flat angles P-C4'-P energy: -50.828 tors. eta vs tors. theta energy: -65.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -631.860834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.860834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.860834 (E_RNA) where: Base-Base interactions energy: -352.598 where: short stacking energy: -193.534 Base-Backbone interact. energy: -0.946 local terms energy: -278.317147 where: bonds (distance) C4'-P energy: -76.343 bonds (distance) P-C4' energy: -70.403 flat angles C4'-P-C4' energy: -80.849 flat angles P-C4'-P energy: -35.357 tors. eta vs tors. theta energy: -15.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -587.826393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.826393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.826393 (E_RNA) where: Base-Base interactions energy: -287.385 where: short stacking energy: -162.377 Base-Backbone interact. energy: -2.466 local terms energy: -297.975650 where: bonds (distance) C4'-P energy: -78.887 bonds (distance) P-C4' energy: -86.921 flat angles C4'-P-C4' energy: -79.469 flat angles P-C4'-P energy: -36.211 tors. eta vs tors. theta energy: -16.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -520.150095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.150095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.150095 (E_RNA) where: Base-Base interactions energy: -268.340 where: short stacking energy: -139.200 Base-Backbone interact. energy: 3.420 local terms energy: -255.230076 where: bonds (distance) C4'-P energy: -60.221 bonds (distance) P-C4' energy: -58.554 flat angles C4'-P-C4' energy: -83.919 flat angles P-C4'-P energy: -46.950 tors. eta vs tors. theta energy: -5.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1642.460817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.460817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.460817 (E_RNA) where: Base-Base interactions energy: -1123.818 where: short stacking energy: -519.317 Base-Backbone interact. energy: -1.107 local terms energy: -517.535461 where: bonds (distance) C4'-P energy: -83.501 bonds (distance) P-C4' energy: -89.548 flat angles C4'-P-C4' energy: -106.882 flat angles P-C4'-P energy: -75.732 tors. eta vs tors. theta energy: -161.872 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: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1606.018076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.018076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.018076 (E_RNA) where: Base-Base interactions energy: -1111.718 where: short stacking energy: -483.691 Base-Backbone interact. energy: -0.274 local terms energy: -494.026148 where: bonds (distance) C4'-P energy: -80.468 bonds (distance) P-C4' energy: -83.095 flat angles C4'-P-C4' energy: -111.673 flat angles P-C4'-P energy: -78.044 tors. eta vs tors. theta energy: -140.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1438.725883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.725883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.725883 (E_RNA) where: Base-Base interactions energy: -974.230 where: short stacking energy: -425.713 Base-Backbone interact. energy: -2.521 local terms energy: -461.975473 where: bonds (distance) C4'-P energy: -81.408 bonds (distance) P-C4' energy: -103.741 flat angles C4'-P-C4' energy: -98.480 flat angles P-C4'-P energy: -62.296 tors. eta vs tors. theta energy: -116.051 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: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1370.755385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.755385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.755385 (E_RNA) where: Base-Base interactions energy: -956.542 where: short stacking energy: -392.970 Base-Backbone interact. energy: 0.914 local terms energy: -415.127423 where: bonds (distance) C4'-P energy: -59.438 bonds (distance) P-C4' energy: -85.889 flat angles C4'-P-C4' energy: -89.659 flat angles P-C4'-P energy: -59.637 tors. eta vs tors. theta energy: -120.504 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: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1290.340562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.340562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.340562 (E_RNA) where: Base-Base interactions energy: -879.975 where: short stacking energy: -361.207 Base-Backbone interact. energy: -0.382 local terms energy: -409.983723 where: bonds (distance) C4'-P energy: -94.309 bonds (distance) P-C4' energy: -78.426 flat angles C4'-P-C4' energy: -91.260 flat angles P-C4'-P energy: -42.052 tors. eta vs tors. theta energy: -103.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1147.735573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.735573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.735573 (E_RNA) where: Base-Base interactions energy: -728.629 where: short stacking energy: -331.851 Base-Backbone interact. energy: -1.625 local terms energy: -417.480989 where: bonds (distance) C4'-P energy: -87.561 bonds (distance) P-C4' energy: -81.920 flat angles C4'-P-C4' energy: -90.991 flat angles P-C4'-P energy: -66.400 tors. eta vs tors. theta energy: -90.609 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: 7, replica: 3 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -996.049792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.049792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.049792 (E_RNA) where: Base-Base interactions energy: -625.928 where: short stacking energy: -270.642 Base-Backbone interact. energy: 3.230 local terms energy: -373.352135 where: bonds (distance) C4'-P energy: -76.383 bonds (distance) P-C4' energy: -76.306 flat angles C4'-P-C4' energy: -85.371 flat angles P-C4'-P energy: -61.574 tors. eta vs tors. theta energy: -73.718 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: 8, replica: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -598.730817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.730817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.730817 (E_RNA) where: Base-Base interactions energy: -294.310 where: short stacking energy: -159.362 Base-Backbone interact. energy: -4.211 local terms energy: -300.210143 where: bonds (distance) C4'-P energy: -90.735 bonds (distance) P-C4' energy: -81.881 flat angles C4'-P-C4' energy: -91.266 flat angles P-C4'-P energy: -36.621 tors. eta vs tors. theta energy: 0.293 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: 9, replica: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -559.262120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.262120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.262120 (E_RNA) where: Base-Base interactions energy: -283.291 where: short stacking energy: -157.103 Base-Backbone interact. energy: -2.610 local terms energy: -273.361381 where: bonds (distance) C4'-P energy: -64.161 bonds (distance) P-C4' energy: -81.525 flat angles C4'-P-C4' energy: -79.847 flat angles P-C4'-P energy: -42.692 tors. eta vs tors. theta energy: -5.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -539.848586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.848586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.848586 (E_RNA) where: Base-Base interactions energy: -266.424 where: short stacking energy: -139.084 Base-Backbone interact. energy: 0.060 local terms energy: -273.484524 where: bonds (distance) C4'-P energy: -80.048 bonds (distance) P-C4' energy: -75.328 flat angles C4'-P-C4' energy: -65.424 flat angles P-C4'-P energy: -48.558 tors. eta vs tors. theta energy: -4.126 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: 471 Temperature: 0.900000 Total energy: -1625.141404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.141404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.141404 (E_RNA) where: Base-Base interactions energy: -1090.483 where: short stacking energy: -485.460 Base-Backbone interact. energy: 0.228 local terms energy: -534.886288 where: bonds (distance) C4'-P energy: -95.946 bonds (distance) P-C4' energy: -97.416 flat angles C4'-P-C4' energy: -116.275 flat angles P-C4'-P energy: -71.758 tors. eta vs tors. theta energy: -153.491 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: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1592.109506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.109506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.109506 (E_RNA) where: Base-Base interactions energy: -1096.295 where: short stacking energy: -485.698 Base-Backbone interact. energy: -0.098 local terms energy: -495.715923 where: bonds (distance) C4'-P energy: -86.029 bonds (distance) P-C4' energy: -88.749 flat angles C4'-P-C4' energy: -102.071 flat angles P-C4'-P energy: -72.354 tors. eta vs tors. theta energy: -146.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1424.549561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.549561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.549561 (E_RNA) where: Base-Base interactions energy: -959.765 where: short stacking energy: -420.945 Base-Backbone interact. energy: -2.627 local terms energy: -462.157770 where: bonds (distance) C4'-P energy: -86.224 bonds (distance) P-C4' energy: -101.972 flat angles C4'-P-C4' energy: -100.221 flat angles P-C4'-P energy: -58.957 tors. eta vs tors. theta energy: -114.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1361.946933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.946933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.946933 (E_RNA) where: Base-Base interactions energy: -933.452 where: short stacking energy: -398.021 Base-Backbone interact. energy: -1.288 local terms energy: -427.207484 where: bonds (distance) C4'-P energy: -76.087 bonds (distance) P-C4' energy: -85.675 flat angles C4'-P-C4' energy: -96.264 flat angles P-C4'-P energy: -54.829 tors. eta vs tors. theta energy: -114.352 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: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1310.568489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.568489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.568489 (E_RNA) where: Base-Base interactions energy: -914.296 where: short stacking energy: -390.746 Base-Backbone interact. energy: 0.048 local terms energy: -396.321137 where: bonds (distance) C4'-P energy: -77.871 bonds (distance) P-C4' energy: -67.034 flat angles C4'-P-C4' energy: -90.818 flat angles P-C4'-P energy: -47.798 tors. eta vs tors. theta energy: -112.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1146.124301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.124301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.124301 (E_RNA) where: Base-Base interactions energy: -770.894 where: short stacking energy: -339.068 Base-Backbone interact. energy: -0.053 local terms energy: -375.177791 where: bonds (distance) C4'-P energy: -72.851 bonds (distance) P-C4' energy: -81.344 flat angles C4'-P-C4' energy: -76.286 flat angles P-C4'-P energy: -53.869 tors. eta vs tors. theta energy: -90.829 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: 3 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -967.995017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.995017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.995017 (E_RNA) where: Base-Base interactions energy: -602.105 where: short stacking energy: -275.836 Base-Backbone interact. energy: 0.667 local terms energy: -366.557816 where: bonds (distance) C4'-P energy: -88.889 bonds (distance) P-C4' energy: -79.398 flat angles C4'-P-C4' energy: -78.460 flat angles P-C4'-P energy: -64.267 tors. eta vs tors. theta energy: -55.543 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: 471 Temperature: 1.250000 Total energy: -601.665271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.665271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.665271 (E_RNA) where: Base-Base interactions energy: -308.160 where: short stacking energy: -186.714 Base-Backbone interact. energy: 1.074 local terms energy: -294.579966 where: bonds (distance) C4'-P energy: -69.254 bonds (distance) P-C4' energy: -83.152 flat angles C4'-P-C4' energy: -67.449 flat angles P-C4'-P energy: -41.970 tors. eta vs tors. theta energy: -32.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -542.929164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.929164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.929164 (E_RNA) where: Base-Base interactions energy: -280.334 where: short stacking energy: -161.264 Base-Backbone interact. energy: -1.529 local terms energy: -261.066332 where: bonds (distance) C4'-P energy: -77.463 bonds (distance) P-C4' energy: -79.688 flat angles C4'-P-C4' energy: -71.895 flat angles P-C4'-P energy: -28.686 tors. eta vs tors. theta energy: -3.335 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: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -507.739869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.739869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.739869 (E_RNA) where: Base-Base interactions energy: -259.237 where: short stacking energy: -133.615 Base-Backbone interact. energy: -2.375 local terms energy: -246.127964 where: bonds (distance) C4'-P energy: -67.499 bonds (distance) P-C4' energy: -76.741 flat angles C4'-P-C4' energy: -62.924 flat angles P-C4'-P energy: -47.423 tors. eta vs tors. theta energy: 8.460 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: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1644.431750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.431750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.431750 (E_RNA) where: Base-Base interactions energy: -1141.003 where: short stacking energy: -513.896 Base-Backbone interact. energy: -1.360 local terms energy: -502.068511 where: bonds (distance) C4'-P energy: -86.455 bonds (distance) P-C4' energy: -82.373 flat angles C4'-P-C4' energy: -107.100 flat angles P-C4'-P energy: -70.718 tors. eta vs tors. theta energy: -155.422 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: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1581.009156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.009156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.009156 (E_RNA) where: Base-Base interactions energy: -1078.866 where: short stacking energy: -467.792 Base-Backbone interact. energy: -2.600 local terms energy: -499.542779 where: bonds (distance) C4'-P energy: -94.026 bonds (distance) P-C4' energy: -88.493 flat angles C4'-P-C4' energy: -101.949 flat angles P-C4'-P energy: -65.886 tors. eta vs tors. theta energy: -149.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1446.160394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.160394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.160394 (E_RNA) where: Base-Base interactions energy: -998.151 where: short stacking energy: -419.514 Base-Backbone interact. energy: -2.347 local terms energy: -445.662469 where: bonds (distance) C4'-P energy: -85.339 bonds (distance) P-C4' energy: -74.808 flat angles C4'-P-C4' energy: -98.429 flat angles P-C4'-P energy: -69.056 tors. eta vs tors. theta energy: -118.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1325.620717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.620717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.620717 (E_RNA) where: Base-Base interactions energy: -894.544 where: short stacking energy: -369.813 Base-Backbone interact. energy: -1.105 local terms energy: -429.972348 where: bonds (distance) C4'-P energy: -90.298 bonds (distance) P-C4' energy: -101.586 flat angles C4'-P-C4' energy: -82.096 flat angles P-C4'-P energy: -58.369 tors. eta vs tors. theta energy: -97.624 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: 4 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1325.777018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.777018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.777018 (E_RNA) where: Base-Base interactions energy: -915.862 where: short stacking energy: -373.434 Base-Backbone interact. energy: -0.695 local terms energy: -409.220248 where: bonds (distance) C4'-P energy: -70.728 bonds (distance) P-C4' energy: -86.868 flat angles C4'-P-C4' energy: -97.756 flat angles P-C4'-P energy: -53.348 tors. eta vs tors. theta energy: -100.520 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: 6 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1185.547620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.547620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.547620 (E_RNA) where: Base-Base interactions energy: -772.183 where: short stacking energy: -347.275 Base-Backbone interact. energy: 0.533 local terms energy: -413.898038 where: bonds (distance) C4'-P energy: -82.487 bonds (distance) P-C4' energy: -89.264 flat angles C4'-P-C4' energy: -89.245 flat angles P-C4'-P energy: -45.653 tors. eta vs tors. theta energy: -107.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -993.476914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.476914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.476914 (E_RNA) where: Base-Base interactions energy: -640.956 where: short stacking energy: -280.943 Base-Backbone interact. energy: 3.452 local terms energy: -355.973115 where: bonds (distance) C4'-P energy: -79.868 bonds (distance) P-C4' energy: -66.333 flat angles C4'-P-C4' energy: -75.179 flat angles P-C4'-P energy: -63.026 tors. eta vs tors. theta energy: -71.568 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: 472 Temperature: 1.250000 Total energy: -608.311633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.311633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.311633 (E_RNA) where: Base-Base interactions energy: -296.971 where: short stacking energy: -163.753 Base-Backbone interact. energy: -1.315 local terms energy: -310.026496 where: bonds (distance) C4'-P energy: -79.976 bonds (distance) P-C4' energy: -83.468 flat angles C4'-P-C4' energy: -80.269 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: -10.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -566.337027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.337027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.337027 (E_RNA) where: Base-Base interactions energy: -301.990 where: short stacking energy: -173.528 Base-Backbone interact. energy: -0.556 local terms energy: -263.791475 where: bonds (distance) C4'-P energy: -69.158 bonds (distance) P-C4' energy: -77.208 flat angles C4'-P-C4' energy: -66.751 flat angles P-C4'-P energy: -49.732 tors. eta vs tors. theta energy: -0.943 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: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -521.927113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.927113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.927113 (E_RNA) where: Base-Base interactions energy: -240.798 where: short stacking energy: -126.412 Base-Backbone interact. energy: 5.739 local terms energy: -286.867782 where: bonds (distance) C4'-P energy: -80.785 bonds (distance) P-C4' energy: -86.016 flat angles C4'-P-C4' energy: -74.754 flat angles P-C4'-P energy: -37.564 tors. eta vs tors. theta energy: -7.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1645.768933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.768933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.768933 (E_RNA) where: Base-Base interactions energy: -1125.485 where: short stacking energy: -491.045 Base-Backbone interact. energy: -1.400 local terms energy: -518.883219 where: bonds (distance) C4'-P energy: -94.100 bonds (distance) P-C4' energy: -82.068 flat angles C4'-P-C4' energy: -106.052 flat angles P-C4'-P energy: -76.541 tors. eta vs tors. theta energy: -160.122 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: 5 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1606.480711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.480711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.480711 (E_RNA) where: Base-Base interactions energy: -1077.991 where: short stacking energy: -472.348 Base-Backbone interact. energy: -1.113 local terms energy: -527.376765 where: bonds (distance) C4'-P energy: -98.737 bonds (distance) P-C4' energy: -96.359 flat angles C4'-P-C4' energy: -108.116 flat angles P-C4'-P energy: -66.247 tors. eta vs tors. theta energy: -157.918 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: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1447.917335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.917335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.917335 (E_RNA) where: Base-Base interactions energy: -993.163 where: short stacking energy: -432.153 Base-Backbone interact. energy: 0.532 local terms energy: -455.286373 where: bonds (distance) C4'-P energy: -80.806 bonds (distance) P-C4' energy: -83.201 flat angles C4'-P-C4' energy: -92.508 flat angles P-C4'-P energy: -65.557 tors. eta vs tors. theta energy: -133.214 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: 2 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1358.502070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.502070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.502070 (E_RNA) where: Base-Base interactions energy: -958.034 where: short stacking energy: -382.085 Base-Backbone interact. energy: -2.240 local terms energy: -398.227992 where: bonds (distance) C4'-P energy: -71.520 bonds (distance) P-C4' energy: -92.358 flat angles C4'-P-C4' energy: -72.850 flat angles P-C4'-P energy: -58.586 tors. eta vs tors. theta energy: -102.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1293.035742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.035742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.035742 (E_RNA) where: Base-Base interactions energy: -877.348 where: short stacking energy: -359.668 Base-Backbone interact. energy: -2.842 local terms energy: -412.845927 where: bonds (distance) C4'-P energy: -78.908 bonds (distance) P-C4' energy: -85.466 flat angles C4'-P-C4' energy: -92.160 flat angles P-C4'-P energy: -54.757 tors. eta vs tors. theta energy: -101.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1175.273446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.273446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.273446 (E_RNA) where: Base-Base interactions energy: -782.607 where: short stacking energy: -340.732 Base-Backbone interact. energy: -0.839 local terms energy: -391.828169 where: bonds (distance) C4'-P energy: -82.635 bonds (distance) P-C4' energy: -78.943 flat angles C4'-P-C4' energy: -82.050 flat angles P-C4'-P energy: -56.013 tors. eta vs tors. theta energy: -92.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -940.592696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.592696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.592696 (E_RNA) where: Base-Base interactions energy: -616.896 where: short stacking energy: -270.843 Base-Backbone interact. energy: -2.539 local terms energy: -321.157269 where: bonds (distance) C4'-P energy: -57.181 bonds (distance) P-C4' energy: -74.259 flat angles C4'-P-C4' energy: -81.668 flat angles P-C4'-P energy: -56.970 tors. eta vs tors. theta energy: -51.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -578.523603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.523603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.523603 (E_RNA) where: Base-Base interactions energy: -301.525 where: short stacking energy: -148.907 Base-Backbone interact. energy: -1.873 local terms energy: -275.125410 where: bonds (distance) C4'-P energy: -67.231 bonds (distance) P-C4' energy: -92.060 flat angles C4'-P-C4' energy: -79.521 flat angles P-C4'-P energy: -34.763 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -541.766920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.766920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.766920 (E_RNA) where: Base-Base interactions energy: -283.727 where: short stacking energy: -153.966 Base-Backbone interact. energy: -1.527 local terms energy: -256.513022 where: bonds (distance) C4'-P energy: -76.993 bonds (distance) P-C4' energy: -79.271 flat angles C4'-P-C4' energy: -56.579 flat angles P-C4'-P energy: -42.046 tors. eta vs tors. theta energy: -1.624 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: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -518.938288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.938288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.938288 (E_RNA) where: Base-Base interactions energy: -237.309 where: short stacking energy: -115.509 Base-Backbone interact. energy: 2.500 local terms energy: -284.129583 where: bonds (distance) C4'-P energy: -76.392 bonds (distance) P-C4' energy: -94.363 flat angles C4'-P-C4' energy: -68.781 flat angles P-C4'-P energy: -37.856 tors. eta vs tors. theta energy: -6.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1624.097269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.097269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.097269 (E_RNA) where: Base-Base interactions energy: -1108.247 where: short stacking energy: -473.359 Base-Backbone interact. energy: -1.563 local terms energy: -514.287678 where: bonds (distance) C4'-P energy: -91.844 bonds (distance) P-C4' energy: -82.257 flat angles C4'-P-C4' energy: -107.920 flat angles P-C4'-P energy: -77.066 tors. eta vs tors. theta energy: -155.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1598.150528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.150528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.150528 (E_RNA) where: Base-Base interactions energy: -1084.747 where: short stacking energy: -479.726 Base-Backbone interact. energy: -0.164 local terms energy: -513.239680 where: bonds (distance) C4'-P energy: -88.142 bonds (distance) P-C4' energy: -83.213 flat angles C4'-P-C4' energy: -104.901 flat angles P-C4'-P energy: -81.343 tors. eta vs tors. theta energy: -155.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1462.194186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.194186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.194186 (E_RNA) where: Base-Base interactions energy: -1000.437 where: short stacking energy: -419.618 Base-Backbone interact. energy: -1.630 local terms energy: -460.127147 where: bonds (distance) C4'-P energy: -85.772 bonds (distance) P-C4' energy: -85.014 flat angles C4'-P-C4' energy: -105.980 flat angles P-C4'-P energy: -65.875 tors. eta vs tors. theta energy: -117.486 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: 2 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1371.706415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.706415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.706415 (E_RNA) where: Base-Base interactions energy: -933.022 where: short stacking energy: -384.813 Base-Backbone interact. energy: -2.402 local terms energy: -436.282820 where: bonds (distance) C4'-P energy: -87.674 bonds (distance) P-C4' energy: -89.468 flat angles C4'-P-C4' energy: -96.566 flat angles P-C4'-P energy: -55.571 tors. eta vs tors. theta energy: -107.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1344.475496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.475496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.475496 (E_RNA) where: Base-Base interactions energy: -924.378 where: short stacking energy: -363.499 Base-Backbone interact. energy: -1.973 local terms energy: -418.125036 where: bonds (distance) C4'-P energy: -77.032 bonds (distance) P-C4' energy: -90.000 flat angles C4'-P-C4' energy: -95.903 flat angles P-C4'-P energy: -62.929 tors. eta vs tors. theta energy: -92.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1169.013869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.013869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.013869 (E_RNA) where: Base-Base interactions energy: -782.415 where: short stacking energy: -340.363 Base-Backbone interact. energy: -2.477 local terms energy: -384.122498 where: bonds (distance) C4'-P energy: -76.209 bonds (distance) P-C4' energy: -78.596 flat angles C4'-P-C4' energy: -86.132 flat angles P-C4'-P energy: -53.748 tors. eta vs tors. theta energy: -89.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -978.432407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.432407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.432407 (E_RNA) where: Base-Base interactions energy: -629.395 where: short stacking energy: -288.259 Base-Backbone interact. energy: -4.444 local terms energy: -344.593185 where: bonds (distance) C4'-P energy: -61.944 bonds (distance) P-C4' energy: -81.109 flat angles C4'-P-C4' energy: -76.325 flat angles P-C4'-P energy: -46.952 tors. eta vs tors. theta energy: -78.263 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: 10 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -585.033845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.033845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.033845 (E_RNA) where: Base-Base interactions energy: -300.146 where: short stacking energy: -182.878 Base-Backbone interact. energy: 5.642 local terms energy: -290.530325 where: bonds (distance) C4'-P energy: -80.311 bonds (distance) P-C4' energy: -79.593 flat angles C4'-P-C4' energy: -74.183 flat angles P-C4'-P energy: -39.148 tors. eta vs tors. theta energy: -17.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -579.477451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.477451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.477451 (E_RNA) where: Base-Base interactions energy: -315.390 where: short stacking energy: -171.196 Base-Backbone interact. energy: -2.190 local terms energy: -261.897676 where: bonds (distance) C4'-P energy: -63.727 bonds (distance) P-C4' energy: -71.732 flat angles C4'-P-C4' energy: -60.853 flat angles P-C4'-P energy: -38.924 tors. eta vs tors. theta energy: -26.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -509.736179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.736179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.736179 (E_RNA) where: Base-Base interactions energy: -235.704 where: short stacking energy: -136.467 Base-Backbone interact. energy: -1.627 local terms energy: -272.404259 where: bonds (distance) C4'-P energy: -75.725 bonds (distance) P-C4' energy: -66.012 flat angles C4'-P-C4' energy: -78.821 flat angles P-C4'-P energy: -53.307 tors. eta vs tors. theta energy: 1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1634.809219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.809219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.809219 (E_RNA) where: Base-Base interactions energy: -1126.064 where: short stacking energy: -481.449 Base-Backbone interact. energy: 0.118 local terms energy: -508.863334 where: bonds (distance) C4'-P energy: -87.637 bonds (distance) P-C4' energy: -98.855 flat angles C4'-P-C4' energy: -101.686 flat angles P-C4'-P energy: -72.092 tors. eta vs tors. theta energy: -148.593 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: 475 Temperature: 0.950000 Total energy: -1613.719301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.719301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.719301 (E_RNA) where: Base-Base interactions energy: -1101.840 where: short stacking energy: -495.880 Base-Backbone interact. energy: -1.104 local terms energy: -510.775755 where: bonds (distance) C4'-P energy: -92.686 bonds (distance) P-C4' energy: -95.312 flat angles C4'-P-C4' energy: -100.639 flat angles P-C4'-P energy: -73.707 tors. eta vs tors. theta energy: -148.432 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: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1437.538061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.538061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.538061 (E_RNA) where: Base-Base interactions energy: -997.938 where: short stacking energy: -400.701 Base-Backbone interact. energy: -2.459 local terms energy: -437.140949 where: bonds (distance) C4'-P energy: -88.518 bonds (distance) P-C4' energy: -70.016 flat angles C4'-P-C4' energy: -104.908 flat angles P-C4'-P energy: -59.210 tors. eta vs tors. theta energy: -114.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1362.117093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.117093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.117093 (E_RNA) where: Base-Base interactions energy: -932.830 where: short stacking energy: -367.230 Base-Backbone interact. energy: -1.984 local terms energy: -427.302620 where: bonds (distance) C4'-P energy: -87.033 bonds (distance) P-C4' energy: -85.303 flat angles C4'-P-C4' energy: -93.614 flat angles P-C4'-P energy: -61.932 tors. eta vs tors. theta energy: -99.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1330.777586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.777586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.777586 (E_RNA) where: Base-Base interactions energy: -903.415 where: short stacking energy: -374.164 Base-Backbone interact. energy: -2.472 local terms energy: -424.889894 where: bonds (distance) C4'-P energy: -59.332 bonds (distance) P-C4' energy: -92.032 flat angles C4'-P-C4' energy: -97.861 flat angles P-C4'-P energy: -70.000 tors. eta vs tors. theta energy: -105.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1177.391793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.391793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.391793 (E_RNA) where: Base-Base interactions energy: -792.110 where: short stacking energy: -348.444 Base-Backbone interact. energy: -1.741 local terms energy: -383.541291 where: bonds (distance) C4'-P energy: -70.499 bonds (distance) P-C4' energy: -70.261 flat angles C4'-P-C4' energy: -89.150 flat angles P-C4'-P energy: -56.392 tors. eta vs tors. theta energy: -97.239 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: 3 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1001.134375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.134375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.134375 (E_RNA) where: Base-Base interactions energy: -631.685 where: short stacking energy: -293.131 Base-Backbone interact. energy: -2.480 local terms energy: -366.970130 where: bonds (distance) C4'-P energy: -75.117 bonds (distance) P-C4' energy: -81.903 flat angles C4'-P-C4' energy: -91.054 flat angles P-C4'-P energy: -54.870 tors. eta vs tors. theta energy: -64.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -562.195011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.195011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.195011 (E_RNA) where: Base-Base interactions energy: -273.096 where: short stacking energy: -149.933 Base-Backbone interact. energy: -0.052 local terms energy: -289.047013 where: bonds (distance) C4'-P energy: -83.736 bonds (distance) P-C4' energy: -86.411 flat angles C4'-P-C4' energy: -70.915 flat angles P-C4'-P energy: -41.153 tors. eta vs tors. theta energy: -6.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -590.537705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.537705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.537705 (E_RNA) where: Base-Base interactions energy: -310.922 where: short stacking energy: -163.430 Base-Backbone interact. energy: -2.107 local terms energy: -277.508726 where: bonds (distance) C4'-P energy: -79.130 bonds (distance) P-C4' energy: -71.534 flat angles C4'-P-C4' energy: -68.053 flat angles P-C4'-P energy: -44.748 tors. eta vs tors. theta energy: -14.043 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: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -525.826194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.826194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.826194 (E_RNA) where: Base-Base interactions energy: -255.605 where: short stacking energy: -142.421 Base-Backbone interact. energy: 2.199 local terms energy: -272.420074 where: bonds (distance) C4'-P energy: -75.114 bonds (distance) P-C4' energy: -85.970 flat angles C4'-P-C4' energy: -73.907 flat angles P-C4'-P energy: -34.686 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1628.312113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.312113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.312113 (E_RNA) where: Base-Base interactions energy: -1129.355 where: short stacking energy: -494.271 Base-Backbone interact. energy: -2.595 local terms energy: -496.361355 where: bonds (distance) C4'-P energy: -74.974 bonds (distance) P-C4' energy: -92.122 flat angles C4'-P-C4' energy: -106.142 flat angles P-C4'-P energy: -73.320 tors. eta vs tors. theta energy: -149.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1591.828221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.828221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.828221 (E_RNA) where: Base-Base interactions energy: -1085.102 where: short stacking energy: -481.547 Base-Backbone interact. energy: -1.425 local terms energy: -505.300413 where: bonds (distance) C4'-P energy: -89.343 bonds (distance) P-C4' energy: -85.766 flat angles C4'-P-C4' energy: -111.063 flat angles P-C4'-P energy: -71.670 tors. eta vs tors. theta energy: -147.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1431.328432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.328432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.328432 (E_RNA) where: Base-Base interactions energy: -987.419 where: short stacking energy: -420.707 Base-Backbone interact. energy: -1.752 local terms energy: -442.157665 where: bonds (distance) C4'-P energy: -80.460 bonds (distance) P-C4' energy: -81.283 flat angles C4'-P-C4' energy: -105.253 flat angles P-C4'-P energy: -56.854 tors. eta vs tors. theta energy: -118.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1374.305374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.305374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.305374 (E_RNA) where: Base-Base interactions energy: -951.622 where: short stacking energy: -361.127 Base-Backbone interact. energy: 0.843 local terms energy: -423.527119 where: bonds (distance) C4'-P energy: -91.260 bonds (distance) P-C4' energy: -76.762 flat angles C4'-P-C4' energy: -90.942 flat angles P-C4'-P energy: -61.751 tors. eta vs tors. theta energy: -102.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1311.426555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.426555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.426555 (E_RNA) where: Base-Base interactions energy: -891.947 where: short stacking energy: -375.175 Base-Backbone interact. energy: -2.275 local terms energy: -417.204174 where: bonds (distance) C4'-P energy: -72.807 bonds (distance) P-C4' energy: -87.517 flat angles C4'-P-C4' energy: -93.898 flat angles P-C4'-P energy: -59.926 tors. eta vs tors. theta energy: -103.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1175.946254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.946254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.946254 (E_RNA) where: Base-Base interactions energy: -803.339 where: short stacking energy: -339.619 Base-Backbone interact. energy: -0.754 local terms energy: -371.853123 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -83.228 flat angles C4'-P-C4' energy: -88.929 flat angles P-C4'-P energy: -53.775 tors. eta vs tors. theta energy: -87.291 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: 3 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -970.912301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.912301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.912301 (E_RNA) where: Base-Base interactions energy: -609.205 where: short stacking energy: -268.276 Base-Backbone interact. energy: -0.702 local terms energy: -361.005191 where: bonds (distance) C4'-P energy: -77.151 bonds (distance) P-C4' energy: -83.521 flat angles C4'-P-C4' energy: -84.674 flat angles P-C4'-P energy: -46.490 tors. eta vs tors. theta energy: -69.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -619.184837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.184837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.184837 (E_RNA) where: Base-Base interactions energy: -330.925 where: short stacking energy: -155.189 Base-Backbone interact. energy: -3.031 local terms energy: -285.228639 where: bonds (distance) C4'-P energy: -77.078 bonds (distance) P-C4' energy: -77.310 flat angles C4'-P-C4' energy: -75.549 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -547.184288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.184288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.184288 (E_RNA) where: Base-Base interactions energy: -274.218 where: short stacking energy: -161.753 Base-Backbone interact. energy: -0.518 local terms energy: -272.448256 where: bonds (distance) C4'-P energy: -67.236 bonds (distance) P-C4' energy: -57.632 flat angles C4'-P-C4' energy: -75.336 flat angles P-C4'-P energy: -53.559 tors. eta vs tors. theta energy: -18.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -514.606762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.606762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.606762 (E_RNA) where: Base-Base interactions energy: -230.349 where: short stacking energy: -142.569 Base-Backbone interact. energy: -1.147 local terms energy: -283.110963 where: bonds (distance) C4'-P energy: -73.457 bonds (distance) P-C4' energy: -71.901 flat angles C4'-P-C4' energy: -79.857 flat angles P-C4'-P energy: -35.932 tors. eta vs tors. theta energy: -21.964 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: 5 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1622.555409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.555409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.555409 (E_RNA) where: Base-Base interactions energy: -1095.302 where: short stacking energy: -476.126 Base-Backbone interact. energy: -1.382 local terms energy: -525.871633 where: bonds (distance) C4'-P energy: -98.612 bonds (distance) P-C4' energy: -84.784 flat angles C4'-P-C4' energy: -116.080 flat angles P-C4'-P energy: -77.450 tors. eta vs tors. theta energy: -148.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1601.580779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.580779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.580779 (E_RNA) where: Base-Base interactions energy: -1087.461 where: short stacking energy: -475.955 Base-Backbone interact. energy: -1.861 local terms energy: -512.259262 where: bonds (distance) C4'-P energy: -84.823 bonds (distance) P-C4' energy: -110.252 flat angles C4'-P-C4' energy: -104.720 flat angles P-C4'-P energy: -66.771 tors. eta vs tors. theta energy: -145.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1435.997516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.997516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.997516 (E_RNA) where: Base-Base interactions energy: -984.185 where: short stacking energy: -414.558 Base-Backbone interact. energy: 4.337 local terms energy: -456.149227 where: bonds (distance) C4'-P energy: -91.938 bonds (distance) P-C4' energy: -81.886 flat angles C4'-P-C4' energy: -93.238 flat angles P-C4'-P energy: -66.776 tors. eta vs tors. theta energy: -122.312 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: 4 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1393.041055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.041055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.041055 (E_RNA) where: Base-Base interactions energy: -980.334 where: short stacking energy: -362.886 Base-Backbone interact. energy: 1.729 local terms energy: -414.435797 where: bonds (distance) C4'-P energy: -91.782 bonds (distance) P-C4' energy: -82.169 flat angles C4'-P-C4' energy: -91.519 flat angles P-C4'-P energy: -56.787 tors. eta vs tors. theta energy: -92.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1316.947271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.947271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.947271 (E_RNA) where: Base-Base interactions energy: -892.596 where: short stacking energy: -379.871 Base-Backbone interact. energy: -1.921 local terms energy: -422.430030 where: bonds (distance) C4'-P energy: -76.893 bonds (distance) P-C4' energy: -84.268 flat angles C4'-P-C4' energy: -98.076 flat angles P-C4'-P energy: -59.652 tors. eta vs tors. theta energy: -103.540 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: 6 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1240.034744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.034744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.034744 (E_RNA) where: Base-Base interactions energy: -842.241 where: short stacking energy: -344.403 Base-Backbone interact. energy: -1.940 local terms energy: -395.853867 where: bonds (distance) C4'-P energy: -77.799 bonds (distance) P-C4' energy: -84.945 flat angles C4'-P-C4' energy: -80.072 flat angles P-C4'-P energy: -49.283 tors. eta vs tors. theta energy: -103.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -947.645841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.645841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.645841 (E_RNA) where: Base-Base interactions energy: -615.347 where: short stacking energy: -283.813 Base-Backbone interact. energy: -3.176 local terms energy: -329.123474 where: bonds (distance) C4'-P energy: -60.974 bonds (distance) P-C4' energy: -78.983 flat angles C4'-P-C4' energy: -77.626 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -60.427 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: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -625.088578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.088578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.088578 (E_RNA) where: Base-Base interactions energy: -357.081 where: short stacking energy: -176.066 Base-Backbone interact. energy: 0.823 local terms energy: -268.830999 where: bonds (distance) C4'-P energy: -66.049 bonds (distance) P-C4' energy: -70.926 flat angles C4'-P-C4' energy: -65.960 flat angles P-C4'-P energy: -46.855 tors. eta vs tors. theta energy: -19.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -553.152517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.152517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.152517 (E_RNA) where: Base-Base interactions energy: -256.968 where: short stacking energy: -133.229 Base-Backbone interact. energy: -0.218 local terms energy: -295.966153 where: bonds (distance) C4'-P energy: -76.306 bonds (distance) P-C4' energy: -94.709 flat angles C4'-P-C4' energy: -67.476 flat angles P-C4'-P energy: -44.921 tors. eta vs tors. theta energy: -12.553 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: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -521.364592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.364592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.364592 (E_RNA) where: Base-Base interactions energy: -253.175 where: short stacking energy: -148.173 Base-Backbone interact. energy: -1.451 local terms energy: -266.738836 where: bonds (distance) C4'-P energy: -61.025 bonds (distance) P-C4' energy: -78.729 flat angles C4'-P-C4' energy: -75.361 flat angles P-C4'-P energy: -41.906 tors. eta vs tors. theta energy: -9.717 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: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1623.951946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.951946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.951946 (E_RNA) where: Base-Base interactions energy: -1107.186 where: short stacking energy: -477.257 Base-Backbone interact. energy: -0.863 local terms energy: -515.902991 where: bonds (distance) C4'-P energy: -97.097 bonds (distance) P-C4' energy: -91.179 flat angles C4'-P-C4' energy: -110.421 flat angles P-C4'-P energy: -71.954 tors. eta vs tors. theta energy: -145.252 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: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1581.208223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.208223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.208223 (E_RNA) where: Base-Base interactions energy: -1087.495 where: short stacking energy: -456.372 Base-Backbone interact. energy: 0.862 local terms energy: -494.575459 where: bonds (distance) C4'-P energy: -87.175 bonds (distance) P-C4' energy: -87.674 flat angles C4'-P-C4' energy: -102.056 flat angles P-C4'-P energy: -69.326 tors. eta vs tors. theta energy: -148.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1433.478019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.478019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.478019 (E_RNA) where: Base-Base interactions energy: -968.725 where: short stacking energy: -423.451 Base-Backbone interact. energy: -1.796 local terms energy: -462.956929 where: bonds (distance) C4'-P energy: -90.027 bonds (distance) P-C4' energy: -94.560 flat angles C4'-P-C4' energy: -98.114 flat angles P-C4'-P energy: -65.649 tors. eta vs tors. theta energy: -114.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1417.639667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.639667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.639667 (E_RNA) where: Base-Base interactions energy: -993.315 where: short stacking energy: -394.205 Base-Backbone interact. energy: -1.215 local terms energy: -423.110087 where: bonds (distance) C4'-P energy: -65.471 bonds (distance) P-C4' energy: -77.667 flat angles C4'-P-C4' energy: -98.496 flat angles P-C4'-P energy: -71.020 tors. eta vs tors. theta energy: -110.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1289.126179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.126179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.126179 (E_RNA) where: Base-Base interactions energy: -860.278 where: short stacking energy: -350.970 Base-Backbone interact. energy: -1.968 local terms energy: -426.879827 where: bonds (distance) C4'-P energy: -79.677 bonds (distance) P-C4' energy: -86.486 flat angles C4'-P-C4' energy: -93.087 flat angles P-C4'-P energy: -58.006 tors. eta vs tors. theta energy: -109.624 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: 6, replica: 2 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1237.058736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.058736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.058736 (E_RNA) where: Base-Base interactions energy: -837.932 where: short stacking energy: -347.718 Base-Backbone interact. energy: 0.551 local terms energy: -399.677661 where: bonds (distance) C4'-P energy: -68.783 bonds (distance) P-C4' energy: -79.950 flat angles C4'-P-C4' energy: -90.492 flat angles P-C4'-P energy: -59.059 tors. eta vs tors. theta energy: -101.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -909.643902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.643902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.643902 (E_RNA) where: Base-Base interactions energy: -578.541 where: short stacking energy: -247.849 Base-Backbone interact. energy: 2.053 local terms energy: -333.155614 where: bonds (distance) C4'-P energy: -79.924 bonds (distance) P-C4' energy: -72.895 flat angles C4'-P-C4' energy: -74.438 flat angles P-C4'-P energy: -46.598 tors. eta vs tors. theta energy: -59.301 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: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -590.761934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.761934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.761934 (E_RNA) where: Base-Base interactions energy: -307.392 where: short stacking energy: -166.113 Base-Backbone interact. energy: -1.619 local terms energy: -281.750622 where: bonds (distance) C4'-P energy: -70.849 bonds (distance) P-C4' energy: -80.594 flat angles C4'-P-C4' energy: -81.193 flat angles P-C4'-P energy: -43.618 tors. eta vs tors. theta energy: -5.497 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: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -546.825870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.825870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.825870 (E_RNA) where: Base-Base interactions energy: -288.497 where: short stacking energy: -168.955 Base-Backbone interact. energy: -1.787 local terms energy: -256.541389 where: bonds (distance) C4'-P energy: -66.740 bonds (distance) P-C4' energy: -76.253 flat angles C4'-P-C4' energy: -70.078 flat angles P-C4'-P energy: -39.423 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -589.613847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.613847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.613847 (E_RNA) where: Base-Base interactions energy: -315.337 where: short stacking energy: -171.016 Base-Backbone interact. energy: 1.152 local terms energy: -275.428831 where: bonds (distance) C4'-P energy: -70.131 bonds (distance) P-C4' energy: -69.743 flat angles C4'-P-C4' energy: -88.633 flat angles P-C4'-P energy: -42.416 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1628.152822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.152822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.152822 (E_RNA) where: Base-Base interactions energy: -1111.560 where: short stacking energy: -490.567 Base-Backbone interact. energy: -1.347 local terms energy: -515.246604 where: bonds (distance) C4'-P energy: -87.956 bonds (distance) P-C4' energy: -96.191 flat angles C4'-P-C4' energy: -103.180 flat angles P-C4'-P energy: -70.596 tors. eta vs tors. theta energy: -157.324 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: 5 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1577.987638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.987638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.987638 (E_RNA) where: Base-Base interactions energy: -1091.227 where: short stacking energy: -459.768 Base-Backbone interact. energy: -2.078 local terms energy: -484.682336 where: bonds (distance) C4'-P energy: -83.712 bonds (distance) P-C4' energy: -100.679 flat angles C4'-P-C4' energy: -90.603 flat angles P-C4'-P energy: -60.668 tors. eta vs tors. theta energy: -149.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1439.988644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.988644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.988644 (E_RNA) where: Base-Base interactions energy: -990.494 where: short stacking energy: -428.950 Base-Backbone interact. energy: -0.122 local terms energy: -449.372480 where: bonds (distance) C4'-P energy: -77.892 bonds (distance) P-C4' energy: -78.336 flat angles C4'-P-C4' energy: -95.753 flat angles P-C4'-P energy: -67.165 tors. eta vs tors. theta energy: -130.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1428.171201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.171201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.171201 (E_RNA) where: Base-Base interactions energy: -1003.993 where: short stacking energy: -406.742 Base-Backbone interact. energy: 0.077 local terms energy: -424.254814 where: bonds (distance) C4'-P energy: -82.987 bonds (distance) P-C4' energy: -80.973 flat angles C4'-P-C4' energy: -88.735 flat angles P-C4'-P energy: -53.296 tors. eta vs tors. theta energy: -118.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1285.355446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.355446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.355446 (E_RNA) where: Base-Base interactions energy: -872.422 where: short stacking energy: -368.980 Base-Backbone interact. energy: 0.822 local terms energy: -413.755504 where: bonds (distance) C4'-P energy: -85.492 bonds (distance) P-C4' energy: -89.236 flat angles C4'-P-C4' energy: -88.176 flat angles P-C4'-P energy: -58.651 tors. eta vs tors. theta energy: -92.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1231.344763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.344763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.344763 (E_RNA) where: Base-Base interactions energy: -853.378 where: short stacking energy: -351.109 Base-Backbone interact. energy: -2.518 local terms energy: -375.448837 where: bonds (distance) C4'-P energy: -51.005 bonds (distance) P-C4' energy: -73.833 flat angles C4'-P-C4' energy: -96.666 flat angles P-C4'-P energy: -64.063 tors. eta vs tors. theta energy: -89.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -926.791859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.791859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.791859 (E_RNA) where: Base-Base interactions energy: -576.709 where: short stacking energy: -260.294 Base-Backbone interact. energy: -2.386 local terms energy: -347.696761 where: bonds (distance) C4'-P energy: -67.716 bonds (distance) P-C4' energy: -78.445 flat angles C4'-P-C4' energy: -72.216 flat angles P-C4'-P energy: -66.573 tors. eta vs tors. theta energy: -62.747 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: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -572.676789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.676789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.676789 (E_RNA) where: Base-Base interactions energy: -279.510 where: short stacking energy: -157.780 Base-Backbone interact. energy: -1.301 local terms energy: -291.866425 where: bonds (distance) C4'-P energy: -92.709 bonds (distance) P-C4' energy: -72.960 flat angles C4'-P-C4' energy: -71.263 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -9.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -536.309327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.309327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.309327 (E_RNA) where: Base-Base interactions energy: -282.047 where: short stacking energy: -166.866 Base-Backbone interact. energy: -2.144 local terms energy: -252.117971 where: bonds (distance) C4'-P energy: -60.781 bonds (distance) P-C4' energy: -74.973 flat angles C4'-P-C4' energy: -72.795 flat angles P-C4'-P energy: -37.053 tors. eta vs tors. theta energy: -6.516 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: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -552.982357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.982357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.982357 (E_RNA) where: Base-Base interactions energy: -306.676 where: short stacking energy: -178.716 Base-Backbone interact. energy: -4.410 local terms energy: -241.896482 where: bonds (distance) C4'-P energy: -62.568 bonds (distance) P-C4' energy: -79.390 flat angles C4'-P-C4' energy: -68.658 flat angles P-C4'-P energy: -29.399 tors. eta vs tors. theta energy: -1.882 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: 480 Temperature: 0.900000 Total energy: -1640.994531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.994531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.994531 (E_RNA) where: Base-Base interactions energy: -1130.012 where: short stacking energy: -490.439 Base-Backbone interact. energy: -0.414 local terms energy: -510.568614 where: bonds (distance) C4'-P energy: -82.999 bonds (distance) P-C4' energy: -89.923 flat angles C4'-P-C4' energy: -115.401 flat angles P-C4'-P energy: -74.701 tors. eta vs tors. theta energy: -147.545 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: 5 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1586.727566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.727566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.727566 (E_RNA) where: Base-Base interactions energy: -1087.254 where: short stacking energy: -469.012 Base-Backbone interact. energy: -1.454 local terms energy: -498.019850 where: bonds (distance) C4'-P energy: -80.936 bonds (distance) P-C4' energy: -87.646 flat angles C4'-P-C4' energy: -111.362 flat angles P-C4'-P energy: -74.797 tors. eta vs tors. theta energy: -143.279 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: 4 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1482.697120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.697120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.697120 (E_RNA) where: Base-Base interactions energy: -1038.926 where: short stacking energy: -431.525 Base-Backbone interact. energy: 1.791 local terms energy: -445.561937 where: bonds (distance) C4'-P energy: -78.664 bonds (distance) P-C4' energy: -86.502 flat angles C4'-P-C4' energy: -86.052 flat angles P-C4'-P energy: -65.060 tors. eta vs tors. theta energy: -129.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1401.740169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.740169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.740169 (E_RNA) where: Base-Base interactions energy: -961.500 where: short stacking energy: -396.226 Base-Backbone interact. energy: 0.097 local terms energy: -440.337153 where: bonds (distance) C4'-P energy: -76.823 bonds (distance) P-C4' energy: -93.979 flat angles C4'-P-C4' energy: -92.076 flat angles P-C4'-P energy: -61.535 tors. eta vs tors. theta energy: -115.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1267.874460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.874460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.874460 (E_RNA) where: Base-Base interactions energy: -838.918 where: short stacking energy: -361.211 Base-Backbone interact. energy: -2.318 local terms energy: -426.638597 where: bonds (distance) C4'-P energy: -88.444 bonds (distance) P-C4' energy: -86.033 flat angles C4'-P-C4' energy: -91.576 flat angles P-C4'-P energy: -52.571 tors. eta vs tors. theta energy: -108.015 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: 2 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1240.259402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.259402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.259402 (E_RNA) where: Base-Base interactions energy: -839.472 where: short stacking energy: -342.774 Base-Backbone interact. energy: 7.295 local terms energy: -408.082360 where: bonds (distance) C4'-P energy: -79.854 bonds (distance) P-C4' energy: -85.557 flat angles C4'-P-C4' energy: -85.064 flat angles P-C4'-P energy: -58.261 tors. eta vs tors. theta energy: -99.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -952.827989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.827989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.827989 (E_RNA) where: Base-Base interactions energy: -618.976 where: short stacking energy: -280.310 Base-Backbone interact. energy: 4.435 local terms energy: -338.286080 where: bonds (distance) C4'-P energy: -68.715 bonds (distance) P-C4' energy: -73.440 flat angles C4'-P-C4' energy: -86.414 flat angles P-C4'-P energy: -52.857 tors. eta vs tors. theta energy: -56.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -614.830980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.830980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.830980 (E_RNA) where: Base-Base interactions energy: -313.587 where: short stacking energy: -182.130 Base-Backbone interact. energy: -2.734 local terms energy: -298.509312 where: bonds (distance) C4'-P energy: -85.568 bonds (distance) P-C4' energy: -77.008 flat angles C4'-P-C4' energy: -76.515 flat angles P-C4'-P energy: -48.505 tors. eta vs tors. theta energy: -10.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -579.541513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.541513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.541513 (E_RNA) where: Base-Base interactions energy: -284.690 where: short stacking energy: -169.283 Base-Backbone interact. energy: -1.145 local terms energy: -293.707215 where: bonds (distance) C4'-P energy: -68.014 bonds (distance) P-C4' energy: -84.311 flat angles C4'-P-C4' energy: -71.254 flat angles P-C4'-P energy: -48.500 tors. eta vs tors. theta energy: -21.628 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: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -516.827339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.827339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.827339 (E_RNA) where: Base-Base interactions energy: -271.052 where: short stacking energy: -142.594 Base-Backbone interact. energy: 1.318 local terms energy: -247.094091 where: bonds (distance) C4'-P energy: -66.268 bonds (distance) P-C4' energy: -77.497 flat angles C4'-P-C4' energy: -64.598 flat angles P-C4'-P energy: -38.325 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1611.665416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.665416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.665416 (E_RNA) where: Base-Base interactions energy: -1101.492 where: short stacking energy: -478.265 Base-Backbone interact. energy: -0.900 local terms energy: -509.273232 where: bonds (distance) C4'-P energy: -88.894 bonds (distance) P-C4' energy: -87.654 flat angles C4'-P-C4' energy: -105.419 flat angles P-C4'-P energy: -71.092 tors. eta vs tors. theta energy: -156.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1586.291834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.291834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.291834 (E_RNA) where: Base-Base interactions energy: -1070.329 where: short stacking energy: -453.051 Base-Backbone interact. energy: -0.927 local terms energy: -515.035809 where: bonds (distance) C4'-P energy: -86.095 bonds (distance) P-C4' energy: -98.864 flat angles C4'-P-C4' energy: -105.790 flat angles P-C4'-P energy: -80.834 tors. eta vs tors. theta energy: -143.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1454.246029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.246029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.246029 (E_RNA) where: Base-Base interactions energy: -1000.787 where: short stacking energy: -398.846 Base-Backbone interact. energy: -0.205 local terms energy: -453.254340 where: bonds (distance) C4'-P energy: -103.023 bonds (distance) P-C4' energy: -75.617 flat angles C4'-P-C4' energy: -95.086 flat angles P-C4'-P energy: -57.833 tors. eta vs tors. theta energy: -121.696 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: 481 Temperature: 1.050000 Total energy: -1410.145719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.145719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.145719 (E_RNA) where: Base-Base interactions energy: -945.681 where: short stacking energy: -396.902 Base-Backbone interact. energy: 0.105 local terms energy: -464.569670 where: bonds (distance) C4'-P energy: -93.891 bonds (distance) P-C4' energy: -92.078 flat angles C4'-P-C4' energy: -102.257 flat angles P-C4'-P energy: -52.591 tors. eta vs tors. theta energy: -123.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1278.115809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.115809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.115809 (E_RNA) where: Base-Base interactions energy: -865.608 where: short stacking energy: -370.600 Base-Backbone interact. energy: 0.544 local terms energy: -413.051943 where: bonds (distance) C4'-P energy: -83.455 bonds (distance) P-C4' energy: -78.369 flat angles C4'-P-C4' energy: -85.131 flat angles P-C4'-P energy: -54.310 tors. eta vs tors. theta energy: -111.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1277.895935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.895935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.895935 (E_RNA) where: Base-Base interactions energy: -880.850 where: short stacking energy: -374.629 Base-Backbone interact. energy: -2.440 local terms energy: -394.606086 where: bonds (distance) C4'-P energy: -75.986 bonds (distance) P-C4' energy: -81.600 flat angles C4'-P-C4' energy: -80.806 flat angles P-C4'-P energy: -56.038 tors. eta vs tors. theta energy: -100.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -941.028242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.028242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.028242 (E_RNA) where: Base-Base interactions energy: -590.066 where: short stacking energy: -260.575 Base-Backbone interact. energy: 1.303 local terms energy: -352.265408 where: bonds (distance) C4'-P energy: -84.136 bonds (distance) P-C4' energy: -77.620 flat angles C4'-P-C4' energy: -84.413 flat angles P-C4'-P energy: -53.188 tors. eta vs tors. theta energy: -52.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -620.016081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.016081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.016081 (E_RNA) where: Base-Base interactions energy: -334.575 where: short stacking energy: -179.474 Base-Backbone interact. energy: 1.832 local terms energy: -287.273550 where: bonds (distance) C4'-P energy: -68.380 bonds (distance) P-C4' energy: -80.016 flat angles C4'-P-C4' energy: -70.726 flat angles P-C4'-P energy: -56.383 tors. eta vs tors. theta energy: -11.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -584.139271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.139271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.139271 (E_RNA) where: Base-Base interactions energy: -298.390 where: short stacking energy: -187.812 Base-Backbone interact. energy: 0.862 local terms energy: -286.610961 where: bonds (distance) C4'-P energy: -60.847 bonds (distance) P-C4' energy: -76.456 flat angles C4'-P-C4' energy: -75.831 flat angles P-C4'-P energy: -33.659 tors. eta vs tors. theta energy: -39.819 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: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -522.921840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.921840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.921840 (E_RNA) where: Base-Base interactions energy: -237.045 where: short stacking energy: -123.098 Base-Backbone interact. energy: 0.298 local terms energy: -286.174234 where: bonds (distance) C4'-P energy: -88.023 bonds (distance) P-C4' energy: -86.147 flat angles C4'-P-C4' energy: -68.858 flat angles P-C4'-P energy: -34.500 tors. eta vs tors. theta energy: -8.646 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: 482 Temperature: 0.900000 Total energy: -1652.995435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.995435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.995435 (E_RNA) where: Base-Base interactions energy: -1133.700 where: short stacking energy: -504.242 Base-Backbone interact. energy: 0.486 local terms energy: -519.781511 where: bonds (distance) C4'-P energy: -90.576 bonds (distance) P-C4' energy: -93.503 flat angles C4'-P-C4' energy: -95.653 flat angles P-C4'-P energy: -78.500 tors. eta vs tors. theta energy: -161.550 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: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1610.308053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.308053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.308053 (E_RNA) where: Base-Base interactions energy: -1115.064 where: short stacking energy: -469.597 Base-Backbone interact. energy: -1.649 local terms energy: -493.594628 where: bonds (distance) C4'-P energy: -78.575 bonds (distance) P-C4' energy: -99.381 flat angles C4'-P-C4' energy: -98.942 flat angles P-C4'-P energy: -68.974 tors. eta vs tors. theta energy: -147.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1436.979052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.979052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.979052 (E_RNA) where: Base-Base interactions energy: -974.352 where: short stacking energy: -394.576 Base-Backbone interact. energy: 0.358 local terms energy: -462.985154 where: bonds (distance) C4'-P energy: -97.973 bonds (distance) P-C4' energy: -88.274 flat angles C4'-P-C4' energy: -95.116 flat angles P-C4'-P energy: -64.166 tors. eta vs tors. theta energy: -117.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1438.817513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.817513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.817513 (E_RNA) where: Base-Base interactions energy: -1001.416 where: short stacking energy: -398.374 Base-Backbone interact. energy: -0.971 local terms energy: -436.430326 where: bonds (distance) C4'-P energy: -87.255 bonds (distance) P-C4' energy: -89.275 flat angles C4'-P-C4' energy: -93.967 flat angles P-C4'-P energy: -52.136 tors. eta vs tors. theta energy: -113.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1326.047735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.047735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.047735 (E_RNA) where: Base-Base interactions energy: -890.571 where: short stacking energy: -376.566 Base-Backbone interact. energy: -2.432 local terms energy: -433.044166 where: bonds (distance) C4'-P energy: -81.908 bonds (distance) P-C4' energy: -88.604 flat angles C4'-P-C4' energy: -91.711 flat angles P-C4'-P energy: -58.420 tors. eta vs tors. theta energy: -112.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1252.415635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.415635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.415635 (E_RNA) where: Base-Base interactions energy: -855.205 where: short stacking energy: -361.283 Base-Backbone interact. energy: -1.046 local terms energy: -396.164101 where: bonds (distance) C4'-P energy: -68.234 bonds (distance) P-C4' energy: -81.682 flat angles C4'-P-C4' energy: -95.559 flat angles P-C4'-P energy: -54.827 tors. eta vs tors. theta energy: -95.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -957.870106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.870106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.870106 (E_RNA) where: Base-Base interactions energy: -640.917 where: short stacking energy: -264.065 Base-Backbone interact. energy: -0.667 local terms energy: -316.286535 where: bonds (distance) C4'-P energy: -69.603 bonds (distance) P-C4' energy: -76.702 flat angles C4'-P-C4' energy: -83.008 flat angles P-C4'-P energy: -39.846 tors. eta vs tors. theta energy: -47.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -621.430896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.430896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.430896 (E_RNA) where: Base-Base interactions energy: -338.494 where: short stacking energy: -176.657 Base-Backbone interact. energy: -1.331 local terms energy: -281.605907 where: bonds (distance) C4'-P energy: -73.535 bonds (distance) P-C4' energy: -79.062 flat angles C4'-P-C4' energy: -73.521 flat angles P-C4'-P energy: -37.103 tors. eta vs tors. theta energy: -18.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -564.104875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.104875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.104875 (E_RNA) where: Base-Base interactions energy: -282.246 where: short stacking energy: -159.561 Base-Backbone interact. energy: -0.905 local terms energy: -280.953525 where: bonds (distance) C4'-P energy: -91.113 bonds (distance) P-C4' energy: -72.268 flat angles C4'-P-C4' energy: -72.236 flat angles P-C4'-P energy: -43.964 tors. eta vs tors. theta energy: -1.373 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: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -529.292245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.292245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.292245 (E_RNA) where: Base-Base interactions energy: -285.966 where: short stacking energy: -147.928 Base-Backbone interact. energy: -2.816 local terms energy: -240.510126 where: bonds (distance) C4'-P energy: -65.683 bonds (distance) P-C4' energy: -76.335 flat angles C4'-P-C4' energy: -51.918 flat angles P-C4'-P energy: -36.976 tors. eta vs tors. theta energy: -9.597 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) out arg RESULTS//1/5UTR-5b9c8e77_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE